2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine

C17H26FNO — CID 106930624

IUPAC2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(COCC1CC1)Cc1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-2-9-19-11-16(13-20-12-15-3-4-15)10-14-5-7-17(18)8-6-14/h5-8,15-16,19H,2-4,9-13H2,1H3
InChIKeyOKUXJIYSZSFMAH-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.41
Rot. Bonds10

About 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine

2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 106930624) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
PubChem CID106930624
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(COCC1CC1)Cc1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-2-9-19-11-16(13-20-12-15-3-4-15)10-14-5-7-17(18)8-6-14/h5-8,15-16,19H,2-4,9-13H2,1H3
InChIKeyOKUXJIYSZSFMAH-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 106930625
3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 106930922
2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
CID 104649200
2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 106930678
2-benzyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705873
N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine
CID 106930639
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine
CID 106930604
2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103653259
N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 106930893

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine (CID 106930624) is 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine is CCCNCC(COCC1CC1)Cc1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is OKUXJIYSZSFMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-2-9-19-11-16(13-20-12-15-3-4-15)10-14-5-7-17(18)8-6-14/h5-8,15-16,19H,2-4,9-13H2,1H3.
What are the key properties of 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine?
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 106930624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).