N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine

C20H33N — CID 81027865

IUPACN-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)c(CC2CCCCC2CNCC(C)C)c1
InChIInChI=1S/C20H33N/c1-15(2)13-21-14-19-8-6-5-7-18(19)12-20-11-16(3)9-10-17(20)4/h9-11,15,18-19,21H,5-8,12-14H2,1-4H3
InChIKeyCKAMJFYHRDSCHQ-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.90
Rot. Bonds6

About N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81027865) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81027865
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)c(CC2CCCCC2CNCC(C)C)c1
InChIInChI=1S/C20H33N/c1-15(2)13-21-14-19-8-6-5-7-18(19)12-20-11-16(3)9-10-17(20)4/h9-11,15,18-19,21H,5-8,12-14H2,1-4H3
InChIKeyCKAMJFYHRDSCHQ-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81027821
N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034224
N-[[2-[(5-bromo-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81028553
N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 105376313
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026863
2-[(2,5-dimethylphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61481881
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027303
2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene
CID 63471595
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637
1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81025893
N-[[2-[(2-chloro-4-methylphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 106870972

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine (CID 81027865) is N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine is Cc1ccc(C)c(CC2CCCCC2CNCC(C)C)c1.
What is the InChIKey of N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CKAMJFYHRDSCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-15(2)13-21-14-19-8-6-5-7-18(19)12-20-11-16(3)9-10-17(20)4/h9-11,15,18-19,21H,5-8,12-14H2,1-4H3.
What are the key properties of N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81027865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).