2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol

C21H23NO2 — CID 113225435

IUPAC2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
SMILESCOc1ccc2cc(C(C)(CO)NCc3ccccc3)ccc2c1
InChIInChI=1S/C21H23NO2/c1-21(15-23,22-14-16-6-4-3-5-7-16)19-10-8-18-13-20(24-2)11-9-17(18)12-19/h3-13,22-23H,14-15H2,1-2H3
InChIKeyLQFBUXJWOFVDQK-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.85
Rot. Bonds6

About 2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol

2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol (PubChem CID 113225435) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
PubChem CID113225435
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
SMILESCOc1ccc2cc(C(C)(CO)NCc3ccccc3)ccc2c1
InChIInChI=1S/C21H23NO2/c1-21(15-23,22-14-16-6-4-3-5-7-16)19-10-8-18-13-20(24-2)11-9-17(18)12-19/h3-13,22-23H,14-15H2,1-2H3
InChIKeyLQFBUXJWOFVDQK-UHFFFAOYSA-N
XLogP3.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
CID 61045809
N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine
CID 11795851
2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol
CID 61044896
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 65234037
2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 43753875
2-naphthalen-2-yl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 61055796
2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol
CID 115630491
4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol
CID 105057861
2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 6458035
2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol
CID 61046917

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol?
The IUPAC name of 2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol (CID 113225435) is 2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol is COc1ccc2cc(C(C)(CO)NCc3ccccc3)ccc2c1.
What is the InChIKey of 2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol?
The InChIKey is LQFBUXJWOFVDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-21(15-23,22-14-16-6-4-3-5-7-16)19-10-8-18-13-20(24-2)11-9-17(18)12-19/h3-13,22-23H,14-15H2,1-2H3.
What are the key properties of 2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol?
2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol has a molecular weight of 321.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 113225435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).