N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine

C16H25N — CID 43317393

IUPACN-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCCc1ccc(CNC2CCCC(C)C2)cc1
InChIInChI=1S/C16H25N/c1-3-14-7-9-15(10-8-14)12-17-16-6-4-5-13(2)11-16/h7-10,13,16-17H,3-6,11-12H2,1-2H3
InChIKeyKXCBVHLOKDKDHA-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.92
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine

N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 43317393) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID43317393
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCCc1ccc(CNC2CCCC(C)C2)cc1
InChIInChI=1S/C16H25N/c1-3-14-7-9-15(10-8-14)12-17-16-6-4-5-13(2)11-16/h7-10,13,16-17H,3-6,11-12H2,1-2H3
InChIKeyKXCBVHLOKDKDHA-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
CID 106899393
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
CID 113286117
4-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43215986
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
CID 115584748
3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 43775489
[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]methanol
CID 114545663
N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 79978765
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 54848890
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine (CID 43317393) is N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine is CCc1ccc(CNC2CCCC(C)C2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is KXCBVHLOKDKDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-14-7-9-15(10-8-14)12-17-16-6-4-5-13(2)11-16/h7-10,13,16-17H,3-6,11-12H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine?
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43317393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).