N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine

C18H25N — CID 115851123

IUPACN-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine
SMILESCCNC(c1ccc2ccccc2c1)C(C)C(C)C
InChIInChI=1S/C18H25N/c1-5-19-18(14(4)13(2)3)17-11-10-15-8-6-7-9-16(15)12-17/h6-14,18-19H,5H2,1-4H3
InChIKeyRFVHXUYTXVJWQL-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.78
Rot. Bonds5

About N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine

N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine (PubChem CID 115851123) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine
PubChem CID115851123
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine
SMILESCCNC(c1ccc2ccccc2c1)C(C)C(C)C
InChIInChI=1S/C18H25N/c1-5-19-18(14(4)13(2)3)17-11-10-15-8-6-7-9-16(15)12-17/h6-14,18-19H,5H2,1-4H3
InChIKeyRFVHXUYTXVJWQL-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-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

N-ethyl-4-methyl-1-naphthalen-2-ylpentan-1-amine
CID 63417061
N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
N,2-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 115850950
2-methoxy-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 79616716
2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 82313385
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907
ethane;2-propan-2-ylnaphthalene
CID 142226111
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
N,2-diethyl-2-methoxy-1-naphthalen-2-ylbutan-1-amine
CID 116761218

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine (CID 115851123) is N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine is CCNC(c1ccc2ccccc2c1)C(C)C(C)C.
What is the InChIKey of N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine?
The InChIKey is RFVHXUYTXVJWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-5-19-18(14(4)13(2)3)17-11-10-15-8-6-7-9-16(15)12-17/h6-14,18-19H,5H2,1-4H3.
What are the key properties of N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine?
N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine is sourced from PubChem (CID 115851123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).