2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine

C17H27NO — CID 43434809

IUPAC2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
SMILESCC(C)Oc1ccc(CNC2CCCCC2C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)19-16-10-8-15(9-11-16)12-18-17-7-5-4-6-14(17)3/h8-11,13-14,17-18H,4-7,12H2,1-3H3
InChIKeyRFVWNQSYAWZRHS-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.14
Rot. Bonds5

About 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine

2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 43434809) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
PubChem CID43434809
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
SMILESCC(C)Oc1ccc(CNC2CCCCC2C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)19-16-10-8-15(9-11-16)12-18-17-7-5-4-6-14(17)3/h8-11,13-14,17-18H,4-7,12H2,1-3H3
InChIKeyRFVWNQSYAWZRHS-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline
CID 84750578
2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 63277985
tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate
CID 113351520
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 83228810
2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine
CID 63462119
3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 64733234
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55194302
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 6962836
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine (CID 43434809) is 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine is CC(C)Oc1ccc(CNC2CCCCC2C)cc1.
What is the InChIKey of 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is RFVWNQSYAWZRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)19-16-10-8-15(9-11-16)12-18-17-7-5-4-6-14(17)3/h8-11,13-14,17-18H,4-7,12H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43434809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).