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

C17H27NO — CID 55199783

IUPAC2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCCOc1cccc(CNC2CCCCC2C)c1
InChIInChI=1S/C17H27NO/c1-3-11-19-16-9-6-8-15(12-16)13-18-17-10-5-4-7-14(17)2/h6,8-9,12,14,17-18H,3-5,7,10-11,13H2,1-2H3
InChIKeyHGWXNILNSIBLHB-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.14
Rot. Bonds6

About 2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine

2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 55199783) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID55199783
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCCOc1cccc(CNC2CCCCC2C)c1
InChIInChI=1S/C17H27NO/c1-3-11-19-16-9-6-8-15(12-16)13-18-17-10-5-4-7-14(17)2/h6,8-9,12,14,17-18H,3-5,7,10-11,13H2,1-2H3
InChIKeyHGWXNILNSIBLHB-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-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 63277985
N-[(3-propoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958213
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617
2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine
CID 83006521
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine
CID 79353261
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115526581

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine (CID 55199783) is 2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine is CCCOc1cccc(CNC2CCCCC2C)c1.
What is the InChIKey of 2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is HGWXNILNSIBLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-11-19-16-9-6-8-15(12-16)13-18-17-10-5-4-7-14(17)2/h6,8-9,12,14,17-18H,3-5,7,10-11,13H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine?
2-methyl-N-[(3-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 2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 55199783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).