2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine

C17H27NO — CID 82485335

IUPAC2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine
SMILESCOc1ccc(CC2CCCCC2N)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15-11-13(8-9-17(15)19-3)10-14-6-4-5-7-16(14)18/h8-9,11-12,14,16H,4-7,10,18H2,1-3H3
InChIKeyMCQSOBWOYIJLEW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.88
Rot. Bonds4

About 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine

2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine (PubChem CID 82485335) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine
PubChem CID82485335
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine
SMILESCOc1ccc(CC2CCCCC2N)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15-11-13(8-9-17(15)19-3)10-14-6-4-5-7-16(14)18/h8-9,11-12,14,16H,4-7,10,18H2,1-3H3
InChIKeyMCQSOBWOYIJLEW-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 82383669
2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine
CID 82185949
2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride
CID 90679135
2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55136665
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 82086619
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-[(4-chlorophenyl)methyl]cyclohexan-1-amine
CID 61382478
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
CID 118987420
2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine
CID 112519352
trans-(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexan-1-amine;hydrochloride
CID 68603153

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine (CID 82485335) is 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine is COc1ccc(CC2CCCCC2N)cc1C(C)C.
What is the InChIKey of 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is MCQSOBWOYIJLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)15-11-13(8-9-17(15)19-3)10-14-6-4-5-7-16(14)18/h8-9,11-12,14,16H,4-7,10,18H2,1-3H3.
What are the key properties of 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine?
2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 82485335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).