N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C18H27N — CID 43764536

IUPACN-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCc1ccccc1NC1CCC2CCCCC2C1
InChIInChI=1S/C18H27N/c1-2-14-7-5-6-10-18(14)19-17-12-11-15-8-3-4-9-16(15)13-17/h5-7,10,15-17,19H,2-4,8-9,11-13H2,1H3
InChIKeyKGBWBZANWACELG-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.02
Rot. Bonds3

About N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43764536) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43764536
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCc1ccccc1NC1CCC2CCCCC2C1
InChIInChI=1S/C18H27N/c1-2-14-7-5-6-10-18(14)19-17-12-11-15-8-3-4-9-16(15)13-17/h5-7,10,15-17,19H,2-4,8-9,11-13H2,1H3
InChIKeyKGBWBZANWACELG-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-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-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43766112
2-[2-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
CID 64596435
N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43773476
N-(2-ethylphenyl)azepan-3-amine
CID 102076155
trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
2-ethyl-N-(2-methylcyclohexyl)aniline
CID 43095688
N-(3-cyclopropylcyclohexyl)-2-fluoroaniline
CID 64595816
1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64596233
trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol
CID 131701457
N-(2-ethylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103930824
2-(ethoxymethyl)-N-(3-methylcyclopentyl)aniline
CID 64500672
N-[2-(ethoxymethyl)phenyl]cycloheptanamine
CID 43750302

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43764536) is N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CCc1ccccc1NC1CCC2CCCCC2C1.
What is the InChIKey of N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is KGBWBZANWACELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-14-7-5-6-10-18(14)19-17-12-11-15-8-3-4-9-16(15)13-17/h5-7,10,15-17,19H,2-4,8-9,11-13H2,1H3.
What are the key properties of N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 257.42 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43764536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).