2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine

C21H23NO — CID 82138221

IUPAC2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine
SMILESCc1ccccc1C(CN)CCOc1ccc2ccccc2c1
InChIInChI=1S/C21H23NO/c1-16-6-2-5-9-21(16)19(15-22)12-13-23-20-11-10-17-7-3-4-8-18(17)14-20/h2-11,14,19H,12-13,15,22H2,1H3
InChIKeyDFFSLVXEZXHMIZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.66
Rot. Bonds6

About 2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine

2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine (PubChem CID 82138221) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine
PubChem CID82138221
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine
SMILESCc1ccccc1C(CN)CCOc1ccc2ccccc2c1
InChIInChI=1S/C21H23NO/c1-16-6-2-5-9-21(16)19(15-22)12-13-23-20-11-10-17-7-3-4-8-18(17)14-20/h2-11,14,19H,12-13,15,22H2,1H3
InChIKeyDFFSLVXEZXHMIZ-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine 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

4-(1,3-benzodioxol-5-yloxy)-2-(2-methylphenyl)butan-1-amine
CID 82138216
4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine
CID 82138148
1-[1-chloro-4-(4-methoxyphenoxy)butan-2-yl]-2-methylbenzene
CID 79424449
2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine
CID 79436772
1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine
CID 19884902
2-ethoxynaphthalene
CID 118978197
4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine
CID 82138850
CID 58761521
CID 58761521
1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine
CID 66218956
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168
2-amino-4-naphthalen-2-yloxybutanenitrile
CID 55143146
methyl 2-amino-4-naphthalen-2-yloxybutanoate
CID 63041604

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine?
The IUPAC name of 2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine (CID 82138221) is 2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine?
The canonical SMILES for 2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine is Cc1ccccc1C(CN)CCOc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine?
The InChIKey is DFFSLVXEZXHMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-16-6-2-5-9-21(16)19(15-22)12-13-23-20-11-10-17-7-3-4-8-18(17)14-20/h2-11,14,19H,12-13,15,22H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine?
2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine has a molecular weight of 305.42 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine is sourced from PubChem (CID 82138221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).