2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol

C18H23NO2 — CID 83977208

IUPAC2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol
SMILESCc1ccccc1COc1ccc(CC(CN)CO)cc1
InChIInChI=1S/C18H23NO2/c1-14-4-2-3-5-17(14)13-21-18-8-6-15(7-9-18)10-16(11-19)12-20/h2-9,16,20H,10-13,19H2,1H3
InChIKeyYUKAJFWKIPQAQM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.68
Rot. Bonds7

About 2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol

2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol (PubChem CID 83977208) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol
PubChem CID83977208
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol
SMILESCc1ccccc1COc1ccc(CC(CN)CO)cc1
InChIInChI=1S/C18H23NO2/c1-14-4-2-3-5-17(14)13-21-18-8-6-15(7-9-18)10-16(11-19)12-20/h2-9,16,20H,10-13,19H2,1H3
InChIKeyYUKAJFWKIPQAQM-UHFFFAOYSA-N
XLogP2.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-ol
CID 115496013
4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol
CID 112539060
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885
2-(4-fluorophenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-amine
CID 112538903
3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977582
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
2-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 63496886
2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol
CID 82350302
N-(2-hydroxyethyl)-2-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111112371
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910
4-[(2-methylphenyl)methoxy]benzenesulfonamide
CID 43164522

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol (CID 83977208) is 2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol is Cc1ccccc1COc1ccc(CC(CN)CO)cc1.
What is the InChIKey of 2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol?
The InChIKey is YUKAJFWKIPQAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-4-2-3-5-17(14)13-21-18-8-6-15(7-9-18)10-16(11-19)12-20/h2-9,16,20H,10-13,19H2,1H3.
What are the key properties of 2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol?
2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 83977208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).