[1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine

C24H31N — CID 70294454

IUPAC[1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine
SMILESCc1cccc(C2(CN)CCC(c3ccc4c(c3)CCCC4)CC2)c1
InChIInChI=1S/C24H31N/c1-18-5-4-8-23(15-18)24(17-25)13-11-20(12-14-24)22-10-9-19-6-2-3-7-21(19)16-22/h4-5,8-10,15-16,20H,2-3,6-7,11-14,17,25H2,1H3
InChIKeyIEEPCMHLJVSXKV-UHFFFAOYSA-N
MW333.52 g/mol
LogP5.43
Rot. Bonds3

About [1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine

[1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine (PubChem CID 70294454) has the molecular formula C24H31N and a molecular weight of 333.52 g/mol. Its IUPAC name is [1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine
PubChem CID70294454
Molecular FormulaC24H31N
Molecular Weight333.52 g/mol
Exact Mass333.25
IUPAC Name[1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine
SMILESCc1cccc(C2(CN)CCC(c3ccc4c(c3)CCCC4)CC2)c1
InChIInChI=1S/C24H31N/c1-18-5-4-8-23(15-18)24(17-25)13-11-20(12-14-24)22-10-9-19-6-2-3-7-21(19)16-22/h4-5,8-10,15-16,20H,2-3,6-7,11-14,17,25H2,1H3
InChIKeyIEEPCMHLJVSXKV-UHFFFAOYSA-N
XLogP5.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine (CID 70294454) is [1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine is Cc1cccc(C2(CN)CCC(c3ccc4c(c3)CCCC4)CC2)c1.
What is the InChIKey of [1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine?
The InChIKey is IEEPCMHLJVSXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N/c1-18-5-4-8-23(15-18)24(17-25)13-11-20(12-14-24)22-10-9-19-6-2-3-7-21(19)16-22/h4-5,8-10,15-16,20H,2-3,6-7,11-14,17,25H2,1H3.
What are the key properties of [1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine?
[1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine has a molecular weight of 333.52 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 70294454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).