N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C19H29N — CID 63476591

IUPACN-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCc1cccc(CCNC2CCC3CCCCC3C2)c1
InChIInChI=1S/C19H29N/c1-15-5-4-6-16(13-15)11-12-20-19-10-9-17-7-2-3-8-18(17)14-19/h4-6,13,17-20H,2-3,7-12,14H2,1H3
InChIKeyMTMAKZDRVFBQEY-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.49
Rot. Bonds4

About N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 63476591) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID63476591
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCc1cccc(CCNC2CCC3CCCCC3C2)c1
InChIInChI=1S/C19H29N/c1-15-5-4-6-16(13-15)11-12-20-19-10-9-17-7-2-3-8-18(17)14-19/h4-6,13,17-20H,2-3,7-12,14H2,1H3
InChIKeyMTMAKZDRVFBQEY-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222656
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 104859744
N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091130
3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
2-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 55062515
N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222915
N-[3-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 62313715
3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 80705858
1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 55062758

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 63476591) is N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is Cc1cccc(CCNC2CCC3CCCCC3C2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is MTMAKZDRVFBQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-15-5-4-6-16(13-15)11-12-20-19-10-9-17-7-2-3-8-18(17)14-19/h4-6,13,17-20H,2-3,7-12,14H2,1H3.
What are the key properties of N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 271.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 63476591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).