N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine

C17H27N — CID 55192739

IUPACN-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine
SMILESCCC1CCC(CNCCc2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-2-15-8-10-17(11-9-15)14-18-13-12-16-6-4-3-5-7-16/h3-7,15,17-18H,2,8-14H2,1H3
InChIKeyZGJUWHOWRJJSIG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.04
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine

N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine (PubChem CID 55192739) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine
PubChem CID55192739
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine
SMILESCCC1CCC(CNCCc2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-2-15-8-10-17(11-9-15)14-18-13-12-16-6-4-3-5-7-16/h3-7,15,17-18H,2,8-14H2,1H3
InChIKeyZGJUWHOWRJJSIG-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-phenylethylamino)methyl]cyclohexan-1-amine
CID 59231059
N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
CID 54880947
3-ethyl-N-(2-phenylethyl)cyclopentan-1-amine
CID 64500794
N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine
CID 11315184
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
N-[(4-ethylcyclohexyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62338995
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213715
ethylbenzene;ethylcyclobutane;formic acid
CID 174407039
1-[(4-ethylcyclohexyl)methyl]-3-phenylthiourea
CID 115594241
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine (CID 55192739) is N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine is CCC1CCC(CNCCc2ccccc2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine?
The InChIKey is ZGJUWHOWRJJSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-15-8-10-17(11-9-15)14-18-13-12-16-6-4-3-5-7-16/h3-7,15,17-18H,2,8-14H2,1H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine?
N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.04, 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]-2-phenylethanamine is sourced from PubChem (CID 55192739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).