N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine

C18H27NO — CID 62385559

IUPACN-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine
SMILESc1ccc(C2CCC(NCC3CCOCC3)CC2)cc1
InChIInChI=1S/C18H27NO/c1-2-4-16(5-3-1)17-6-8-18(9-7-17)19-14-15-10-12-20-13-11-15/h1-5,15,17-19H,6-14H2
InChIKeyIMWMXUZFQSNKHV-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.73
Rot. Bonds4

About N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine

N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine (PubChem CID 62385559) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine
PubChem CID62385559
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine
SMILESc1ccc(C2CCC(NCC3CCOCC3)CC2)cc1
InChIInChI=1S/C18H27NO/c1-2-4-16(5-3-1)17-6-8-18(9-7-17)19-14-15-10-12-20-13-11-15/h1-5,15,17-19H,6-14H2
InChIKeyIMWMXUZFQSNKHV-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride
CID 19935156
4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031272
N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine
CID 43632316
3-(2-methylphenyl)-N-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 63726468
N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563
N-(oxan-4-ylmethyl)cyclohexanamine
CID 61269562
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119624456
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
benzene;cyclopropylbenzene
CID 144638417
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
3-[(4-phenylcyclohexyl)amino]propan-1-ol
CID 28714370
N-but-2-ynyl-4-phenylcyclohexan-1-amine
CID 115896951

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine (CID 62385559) is N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine is c1ccc(C2CCC(NCC3CCOCC3)CC2)cc1.
What is the InChIKey of N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine?
The InChIKey is IMWMXUZFQSNKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-4-16(5-3-1)17-6-8-18(9-7-17)19-14-15-10-12-20-13-11-15/h1-5,15,17-19H,6-14H2.
What are the key properties of N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine?
N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 62385559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).