1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine

C19H25NO — CID 54848596

IUPAC1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
SMILESCCCOc1cccc(CNC(CC)c2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-3-13-21-18-12-8-9-16(14-18)15-20-19(4-2)17-10-6-5-7-11-17/h5-12,14,19-20H,3-4,13,15H2,1-2H3
InChIKeyCICSYUXQSSHBKV-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.72
Rot. Bonds8

About 1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine

1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine (PubChem CID 54848596) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
PubChem CID54848596
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
SMILESCCCOc1cccc(CNC(CC)c2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-3-13-21-18-12-8-9-16(14-18)15-20-19(4-2)17-10-6-5-7-11-17/h5-12,14,19-20H,3-4,13,15H2,1-2H3
InChIKeyCICSYUXQSSHBKV-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine
CID 54848728
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
N-(1-phenylpropyl)-3-propoxyaniline
CID 43693763
(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449990
(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
CID 29222092
1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60956086
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
3-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 115644712
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842
2-(1-phenylpropylamino)-N-(3-propoxyphenyl)acetamide
CID 54845702

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine (CID 54848596) is 1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine is CCCOc1cccc(CNC(CC)c2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine?
The InChIKey is CICSYUXQSSHBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-13-21-18-12-8-9-16(14-18)15-20-19(4-2)17-10-6-5-7-11-17/h5-12,14,19-20H,3-4,13,15H2,1-2H3.
What are the key properties of 1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine?
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 54848596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).