N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine

C19H31N — CID 63452140

IUPACN-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCC2CCC(CC)CC2)cc1
InChIInChI=1S/C19H31N/c1-4-16-6-8-18(9-7-16)14-20-15(3)19-12-10-17(5-2)11-13-19/h10-13,15-16,18,20H,4-9,14H2,1-3H3
InChIKeyMONAIDKWNHNOOX-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.12
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine

N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine (PubChem CID 63452140) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
PubChem CID63452140
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCC2CCC(CC)CC2)cc1
InChIInChI=1S/C19H31N/c1-4-16-6-8-18(9-7-16)14-20-15(3)19-12-10-17(5-2)11-13-19/h10-13,15-16,18,20H,4-9,14H2,1-3H3
InChIKeyMONAIDKWNHNOOX-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
CID 43223749
1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584060
2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 64928037
N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726637
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619
1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine
CID 63451995
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine (CID 63452140) is N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)NCC2CCC(CC)CC2)cc1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine?
The InChIKey is MONAIDKWNHNOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-16-6-8-18(9-7-16)14-20-15(3)19-12-10-17(5-2)11-13-19/h10-13,15-16,18,20H,4-9,14H2,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine?
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 63452140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).