1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine

C17H27N — CID 63507472

IUPAC1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCCc1ccc(CC2(CNC)CCCCC2)cc1
InChIInChI=1S/C17H27N/c1-3-15-7-9-16(10-8-15)13-17(14-18-2)11-5-4-6-12-17/h7-10,18H,3-6,11-14H2,1-2H3
InChIKeyBARVCSKEOQGRFH-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.96
Rot. Bonds5

About 1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine

1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine (PubChem CID 63507472) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine
PubChem CID63507472
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCCc1ccc(CC2(CNC)CCCCC2)cc1
InChIInChI=1S/C17H27N/c1-3-15-7-9-16(10-8-15)13-17(14-18-2)11-5-4-6-12-17/h7-10,18H,3-6,11-14H2,1-2H3
InChIKeyBARVCSKEOQGRFH-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62905195
N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine
CID 116929382
1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 116929393
1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene
CID 66035780
N-methyl-1-[1-[(3-methylphenyl)methyl]cyclopentyl]methanamine
CID 62724183
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine
CID 66025755
N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55195085
1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116929385
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116929377
N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65491516

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine (CID 63507472) is 1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine is CCc1ccc(CC2(CNC)CCCCC2)cc1.
What is the InChIKey of 1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is BARVCSKEOQGRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-15-7-9-16(10-8-15)13-17(14-18-2)11-5-4-6-12-17/h7-10,18H,3-6,11-14H2,1-2H3.
What are the key properties of 1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine?
1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 245.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 63507472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).