N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine

C18H22FNO — CID 78816669

IUPACN-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine
SMILESCC(OCCCNCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-15(17-8-3-2-4-9-17)21-12-6-11-20-14-16-7-5-10-18(19)13-16/h2-5,7-10,13,15,20H,6,11-12,14H2,1H3
InChIKeyORSWRECMJIZHBL-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.08
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine

N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine (PubChem CID 78816669) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine
PubChem CID78816669
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine
SMILESCC(OCCCNCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-15(17-8-3-2-4-9-17)21-12-6-11-20-14-16-7-5-10-18(19)13-16/h2-5,7-10,13,15,20H,6,11-12,14H2,1H3
InChIKeyORSWRECMJIZHBL-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.08
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

N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(1-phenylethoxy)propan-1-amine
CID 78826025
N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 60977027
N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944
3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088099
N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine
CID 106007636
1-N-[(3-fluorophenyl)methyl]pentane-1,4-diamine
CID 115203879
4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine
CID 115584501
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine
CID 115526053
N-[(3-methylthiophen-2-yl)methyl]-3-(1-phenylethoxy)propan-1-amine
CID 78816028
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
N-[(3-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208880

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine (CID 78816669) is N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine is CC(OCCCNCc1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine?
The InChIKey is ORSWRECMJIZHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-15(17-8-3-2-4-9-17)21-12-6-11-20-14-16-7-5-10-18(19)13-16/h2-5,7-10,13,15,20H,6,11-12,14H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine?
N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine is sourced from PubChem (CID 78816669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).