N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine

C17H27NO — CID 55148555

IUPACN-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-17(2,3)18-13-14-8-7-11-16(12-14)19-15-9-5-4-6-10-15/h7-8,11-12,15,18H,4-6,9-10,13H2,1-3H3
InChIKeyXJXUCABIKSLTIK-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.29
Rot. Bonds4

About N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 55148555) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID55148555
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-17(2,3)18-13-14-8-7-11-16(12-14)19-15-9-5-4-6-10-15/h7-8,11-12,15,18H,4-6,9-10,13H2,1-3H3
InChIKeyXJXUCABIKSLTIK-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
(3-ethylphenoxy)cyclooctane
CID 91220327
N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39446655
N-[(3-chloro-4-cycloheptyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 82927497
N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688391
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573
N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine
CID 79883669
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
5-[(3-cyclopentyloxyphenyl)methylamino]-4-methylpentan-2-ol
CID 111448819

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine (CID 55148555) is N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccc(OC2CCCCC2)c1.
What is the InChIKey of N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is XJXUCABIKSLTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)18-13-14-8-7-11-16(12-14)19-15-9-5-4-6-10-15/h7-8,11-12,15,18H,4-6,9-10,13H2,1-3H3.
What are the key properties of N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55148555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).