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

C16H25NO — CID 113438529

IUPACN-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine
SMILESCCCOc1ccccc1C1CCCC(NC)C1
InChIInChI=1S/C16H25NO/c1-3-11-18-16-10-5-4-9-15(16)13-7-6-8-14(12-13)17-2/h4-5,9-10,13-14,17H,3,6-8,11-12H2,1-2H3
InChIKeyIOHZQJYVTXTGGG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.72
Rot. Bonds5

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

N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine (PubChem CID 113438529) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine
PubChem CID113438529
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine
SMILESCCCOc1ccccc1C1CCCC(NC)C1
InChIInChI=1S/C16H25NO/c1-3-11-18-16-10-5-4-9-15(16)13-7-6-8-14(12-13)17-2/h4-5,9-10,13-14,17H,3,6-8,11-12H2,1-2H3
InChIKeyIOHZQJYVTXTGGG-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(2-propoxyphenyl)cycloheptane
CID 104662860
N-methyl-3-naphthalen-1-ylcyclohexan-1-amine
CID 59830952
2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
CID 104662479
1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene
CID 70807939
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
2-methyl-5-(2-propoxyphenyl)piperidine
CID 104662635
3-(2-ethoxyphenyl)cycloheptan-1-amine
CID 64505330
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
CID 62571085
1-bromo-3-[2-(2-methoxyethoxy)phenyl]cycloheptane
CID 113438552
N-cyclohexyl-2-propoxyaniline
CID 43682292
1-chloro-2-(2-propoxyphenyl)cycloheptane
CID 104662441
1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone
CID 43828941

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine (CID 113438529) is N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine is CCCOc1ccccc1C1CCCC(NC)C1.
What is the InChIKey of N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine?
The InChIKey is IOHZQJYVTXTGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-11-18-16-10-5-4-9-15(16)13-7-6-8-14(12-13)17-2/h4-5,9-10,13-14,17H,3,6-8,11-12H2,1-2H3.
What are the key properties of N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine?
N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 113438529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).