1-(4-phenylmethoxyphenyl)propan-1-amine

C16H19NO — CID 16795854

IUPAC1-(4-phenylmethoxyphenyl)propan-1-amine
SMILESCCC(N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11,16H,2,12,17H2,1H3
InChIKeySMVVRFICFLLLLR-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.68
Rot. Bonds5

About 1-(4-phenylmethoxyphenyl)propan-1-amine

1-(4-phenylmethoxyphenyl)propan-1-amine (PubChem CID 16795854) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)propan-1-amine
PubChem CID16795854
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(4-phenylmethoxyphenyl)propan-1-amine
SMILESCCC(N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11,16H,2,12,17H2,1H3
InChIKeySMVVRFICFLLLLR-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine
CID 102939494
1-(4-phenylmethoxyphenyl)but-3-en-1-amine
CID 10944951
(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171211172
(1S)-3,3-difluoro-1-(4-phenylmethoxyphenyl)propan-1-amine
CID 171313225
(1S)-3-methyl-1-(4-phenylmethoxyphenyl)but-3-en-1-amine
CID 171230798
ethyl (3S)-3-amino-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171230805
3-[[4-(1-aminopropyl)phenoxy]methyl]benzonitrile
CID 60878628
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171211177
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine
CID 171230780
(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211160

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)propan-1-amine?
The IUPAC name of 1-(4-phenylmethoxyphenyl)propan-1-amine (CID 16795854) is 1-(4-phenylmethoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)propan-1-amine is CCC(N)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)propan-1-amine?
The InChIKey is SMVVRFICFLLLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11,16H,2,12,17H2,1H3.
What are the key properties of 1-(4-phenylmethoxyphenyl)propan-1-amine?
1-(4-phenylmethoxyphenyl)propan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)propan-1-amine is sourced from PubChem (CID 16795854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).