1-(2-amino-4-methylpentyl)naphthalen-2-ol

C16H21NO — CID 55112516

IUPAC1-(2-amino-4-methylpentyl)naphthalen-2-ol
SMILESCC(C)CC(N)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C16H21NO/c1-11(2)9-13(17)10-15-14-6-4-3-5-12(14)7-8-16(15)18/h3-8,11,13,18H,9-10,17H2,1-2H3
InChIKeyGCTBHZISJDFZDE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.46
Rot. Bonds4

About 1-(2-amino-4-methylpentyl)naphthalen-2-ol

1-(2-amino-4-methylpentyl)naphthalen-2-ol (PubChem CID 55112516) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-amino-4-methylpentyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-methylpentyl)naphthalen-2-ol
PubChem CID55112516
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(2-amino-4-methylpentyl)naphthalen-2-ol
SMILESCC(C)CC(N)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C16H21NO/c1-11(2)9-13(17)10-15-14-6-4-3-5-12(14)7-8-16(15)18/h3-8,11,13,18H,9-10,17H2,1-2H3
InChIKeyGCTBHZISJDFZDE-UHFFFAOYSA-N
XLogP3.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-amino-4-methylpentyl)naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dezocine
CID 3033053
1-Dimethylaminomethyl-2-naphthol
CID 223180
1-Cyclohexyliminomethyl-naphthalen-2-ol
CID 598370
7-Hydroxycadalene
CID 608115
1-(Aminomethyl)naphthalen-2-ol
CID 241200
5-(Aminomethyl)naphthalen-2-ol
CID 44352201
8-Allyl-7-allylamino-5,6,7,8-tetrahydro-naphthalen-1-ol
CID 10466960
5-Hydroxy-2-aminotetralin
CID 125156
(7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 3085297
Octyl-2-naphthol
CID 3015545
2-Naphthalenol, heptyl-
CID 160195
(R)-Desisopropyl Tolterodine
CID 9857016

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylpentyl)naphthalen-2-ol?
The IUPAC name of 1-(2-amino-4-methylpentyl)naphthalen-2-ol (CID 55112516) is 1-(2-amino-4-methylpentyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-amino-4-methylpentyl)naphthalen-2-ol?
The canonical SMILES for 1-(2-amino-4-methylpentyl)naphthalen-2-ol is CC(C)CC(N)Cc1c(O)ccc2ccccc12.
What is the InChIKey of 1-(2-amino-4-methylpentyl)naphthalen-2-ol?
The InChIKey is GCTBHZISJDFZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11(2)9-13(17)10-15-14-6-4-3-5-12(14)7-8-16(15)18/h3-8,11,13,18H,9-10,17H2,1-2H3.
What are the key properties of 1-(2-amino-4-methylpentyl)naphthalen-2-ol?
1-(2-amino-4-methylpentyl)naphthalen-2-ol has a molecular weight of 243.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylpentyl)naphthalen-2-ol is sourced from PubChem (CID 55112516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).