2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol

C17H21NO2 — CID 82350302

IUPAC2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol
SMILESNCC(CO)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c18-11-16(12-19)9-15-7-4-8-17(10-15)20-13-14-5-2-1-3-6-14/h1-8,10,16,19H,9,11-13,18H2
InChIKeyIYZSAKWKMLTTCZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.38
Rot. Bonds7

About 2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol

2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol (PubChem CID 82350302) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol
PubChem CID82350302
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol
SMILESNCC(CO)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c18-11-16(12-19)9-15-7-4-8-17(10-15)20-13-14-5-2-1-3-6-14/h1-8,10,16,19H,9,11-13,18H2
InChIKeyIYZSAKWKMLTTCZ-UHFFFAOYSA-N
XLogP2.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
CID 129362160
2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
benzyl (2R)-2-[(2-phenylacetyl)amino]-3-(3-phenylmethoxyphenyl)propanoate
CID 124746412
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
CID 57452903
CID 57452903
2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol
CID 83932910
(E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol
CID 68539604
2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol
CID 83977208
2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid
CID 84752879
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol (CID 82350302) is 2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol is NCC(CO)Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is IYZSAKWKMLTTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c18-11-16(12-19)9-15-7-4-8-17(10-15)20-13-14-5-2-1-3-6-14/h1-8,10,16,19H,9,11-13,18H2.
What are the key properties of 2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol?
2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 82350302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).