2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine

C16H25FN2 — CID 103781637

IUPAC2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine
SMILESCC(Cc1ccc(F)cc1)NCC(C)N(C)C1CC1
InChIInChI=1S/C16H25FN2/c1-12(10-14-4-6-15(17)7-5-14)18-11-13(2)19(3)16-8-9-16/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyKRDFFVYCIFEKKI-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.83
Rot. Bonds7

About 2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine

2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine (PubChem CID 103781637) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine
PubChem CID103781637
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine
SMILESCC(Cc1ccc(F)cc1)NCC(C)N(C)C1CC1
InChIInChI=1S/C16H25FN2/c1-12(10-14-4-6-15(17)7-5-14)18-11-13(2)19(3)16-8-9-16/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyKRDFFVYCIFEKKI-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine
CID 114132419
1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717047
N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 115717758
2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol
CID 104582321
N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 114794765
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
CID 115712747
4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
CID 60956705
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
1-N-butan-2-yl-2-N-[(4-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62569275
ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate
CID 55141490
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 103250419

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine (CID 103781637) is 2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine is CC(Cc1ccc(F)cc1)NCC(C)N(C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine?
The InChIKey is KRDFFVYCIFEKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(10-14-4-6-15(17)7-5-14)18-11-13(2)19(3)16-8-9-16/h4-7,12-13,16,18H,8-11H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine?
2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103781637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).