2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol

C14H18N2O2 — CID 115120355

IUPAC2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol
SMILESCOc1ccc2cc(NCC(N)CO)ccc2c1
InChIInChI=1S/C14H18N2O2/c1-18-14-5-3-10-6-13(4-2-11(10)7-14)16-8-12(15)9-17/h2-7,12,16-17H,8-9,15H2,1H3
InChIKeyWPCAMPOMRWEJGB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.58
Rot. Bonds5

About 2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol

2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol (PubChem CID 115120355) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol
PubChem CID115120355
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol
SMILESCOc1ccc2cc(NCC(N)CO)ccc2c1
InChIInChI=1S/C14H18N2O2/c1-18-14-5-3-10-6-13(4-2-11(10)7-14)16-8-12(15)9-17/h2-7,12,16-17H,8-9,15H2,1H3
InChIKeyWPCAMPOMRWEJGB-UHFFFAOYSA-N
XLogP1.58
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(6-methoxynaphthalen-2-yl)-2-methylpropane-1,3-diamine
CID 115198334
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol
CID 115120343
6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine
CID 115257711
4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one
CID 115235467
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol
CID 115120319
(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
CID 178146613
2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol
CID 115120337

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol?
The IUPAC name of 2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol (CID 115120355) is 2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol is COc1ccc2cc(NCC(N)CO)ccc2c1.
What is the InChIKey of 2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol?
The InChIKey is WPCAMPOMRWEJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-14-5-3-10-6-13(4-2-11(10)7-14)16-8-12(15)9-17/h2-7,12,16-17H,8-9,15H2,1H3.
What are the key properties of 2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol?
2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol is sourced from PubChem (CID 115120355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).