3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine

C17H27NO — CID 43317434

IUPAC3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCCOc1ccc(CNC2CCCC(C)C2)cc1
InChIInChI=1S/C17H27NO/c1-3-11-19-17-9-7-15(8-10-17)13-18-16-6-4-5-14(2)12-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3
InChIKeyGYQZYSFQKQNVEA-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.14
Rot. Bonds6

About 3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine

3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 43317434) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID43317434
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCCOc1ccc(CNC2CCCC(C)C2)cc1
InChIInChI=1S/C17H27NO/c1-3-11-19-17-9-7-15(8-10-17)13-18-16-6-4-5-14(2)12-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3
InChIKeyGYQZYSFQKQNVEA-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 63277985
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 103701377
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 54848890
N-[(4-propoxyphenyl)methyl]thiolan-3-amine
CID 103701552
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700395
4-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43215986
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
CID 62571085
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine (CID 43317434) is 3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine is CCCOc1ccc(CNC2CCCC(C)C2)cc1.
What is the InChIKey of 3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is GYQZYSFQKQNVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-11-19-17-9-7-15(8-10-17)13-18-16-6-4-5-14(2)12-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3.
What are the key properties of 3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine?
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43317434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).