N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine

C16H25NO — CID 55120346

IUPACN-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine
SMILESCCCOc1ccc(C2CCCCC2NC)cc1
InChIInChI=1S/C16H25NO/c1-3-12-18-14-10-8-13(9-11-14)15-6-4-5-7-16(15)17-2/h8-11,15-17H,3-7,12H2,1-2H3
InChIKeyLAOTXSSTWAQQRK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.72
Rot. Bonds5

About N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine

N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine (PubChem CID 55120346) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine
PubChem CID55120346
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine
SMILESCCCOc1ccc(C2CCCCC2NC)cc1
InChIInChI=1S/C16H25NO/c1-3-12-18-14-10-8-13(9-11-14)15-6-4-5-7-16(15)17-2/h8-11,15-17H,3-7,12H2,1-2H3
InChIKeyLAOTXSSTWAQQRK-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

N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026728
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 81028785
2-(4-bromophenyl)-N-methylcycloheptan-1-amine
CID 82249332
cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 94869351
2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine
CID 63474556
[(1S,2R)-2-(4-propoxyphenyl)cyclohexyl] hexanoate
CID 57244676
2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 63277985
[(1R,2S)-2-(4-butoxyphenyl)cyclohexyl] acetate
CID 15234651
1-bromo-3-(4-propoxyphenyl)cycloheptane
CID 64507843
4-methyl-3-(4-propoxyphenyl)piperidine
CID 66274020
[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700395
1-decoxy-4-[4-[(1R,2S)-2-methoxycyclohexyl]phenyl]benzene
CID 56637066

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine (CID 55120346) is N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine is CCCOc1ccc(C2CCCCC2NC)cc1.
What is the InChIKey of N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine?
The InChIKey is LAOTXSSTWAQQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-12-18-14-10-8-13(9-11-14)15-6-4-5-7-16(15)17-2/h8-11,15-17H,3-7,12H2,1-2H3.
What are the key properties of N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine?
N-methyl-2-(4-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-2-(4-propoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 55120346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).