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

C18H27N — CID 43222656

IUPACN-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESc1ccc(CCNC2CCC3CCCCC3C2)cc1
InChIInChI=1S/C18H27N/c1-2-6-15(7-3-1)12-13-19-18-11-10-16-8-4-5-9-17(16)14-18/h1-3,6-7,16-19H,4-5,8-14H2
InChIKeyFKNHPBTYJCGEJN-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.18
Rot. Bonds4

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

N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43222656) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43222656
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESc1ccc(CCNC2CCC3CCCCC3C2)cc1
InChIInChI=1S/C18H27N/c1-2-6-15(7-3-1)12-13-19-18-11-10-16-8-4-5-9-17(16)14-18/h1-3,6-7,16-19H,4-5,8-14H2
InChIKeyFKNHPBTYJCGEJN-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-phenylethyl)-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

3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222915
N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63476591
1-N-(2-phenylethyl)cyclohexane-1,3-diamine
CID 79459302
3-ethyl-N-(2-phenylethyl)cyclopentan-1-amine
CID 64500794
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79762958
3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine
CID 64623377
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 59101629
(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 102451232
N-(2-phenylethyl)oxan-4-amine;hydrochloride
CID 71299312

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43222656) is N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is c1ccc(CCNC2CCC3CCCCC3C2)cc1.
What is the InChIKey of N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is FKNHPBTYJCGEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-6-15(7-3-1)12-13-19-18-11-10-16-8-4-5-9-17(16)14-18/h1-3,6-7,16-19H,4-5,8-14H2.
What are the key properties of N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 257.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43222656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).