4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine

C17H26FN3O — CID 142360229

IUPAC4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine
SMILESNCCCCNNC1(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C17H26FN3O/c18-15-6-5-14(11-16(15)22-12-13-3-4-13)17(7-8-17)21-20-10-2-1-9-19/h5-6,11,13,20-21H,1-4,7-10,12,19H2
InChIKeyMIGSYWGGMUJPQH-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.44
Rot. Bonds10

About 4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine

4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine (PubChem CID 142360229) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is 4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine.

Molecular Properties

Compound Name4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine
PubChem CID142360229
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine
SMILESNCCCCNNC1(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C17H26FN3O/c18-15-6-5-14(11-16(15)22-12-13-3-4-13)17(7-8-17)21-20-10-2-1-9-19/h5-6,11,13,20-21H,1-4,7-10,12,19H2
InChIKeyMIGSYWGGMUJPQH-UHFFFAOYSA-N
XLogP2.44
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide
CID 135218464
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 134541422
1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360581
1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360872
5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentan-1-amine
CID 142361186
1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione
CID 142399513
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide
CID 170119509
N'-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,2-dimethylpropyl]hexane-1,6-diamine
CID 142361235
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-7,7-dimethyloctane-1-sulfonamide
CID 146352826
3-[(E)-7-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]hept-2-enyl]piperidine-2,6-dione
CID 134553665
6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide
CID 134542398
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylcyclopropan-1-amine;3,3-dimethyldecane;methanol;molecular hydrogen
CID 142399875

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine?
The IUPAC name of 4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine (CID 142360229) is 4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine.
What is the SMILES notation for 4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine?
The canonical SMILES for 4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine is NCCCCNNC1(c2ccc(F)c(OCC3CC3)c2)CC1.
What is the InChIKey of 4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine?
The InChIKey is MIGSYWGGMUJPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c18-15-6-5-14(11-16(15)22-12-13-3-4-13)17(7-8-17)21-20-10-2-1-9-19/h5-6,11,13,20-21H,1-4,7-10,12,19H2.
What are the key properties of 4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine?
4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine has a molecular weight of 307.41 g/mol, XLogP of 2.44, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine is sourced from PubChem (CID 142360229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).