N-[2-(4-methylphenoxy)propyl]cyclohexanamine

C16H25NO — CID 54797714

IUPACN-[2-(4-methylphenoxy)propyl]cyclohexanamine
SMILESCc1ccc(OC(C)CNC2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13-8-10-16(11-9-13)18-14(2)12-17-15-6-4-3-5-7-15/h8-11,14-15,17H,3-7,12H2,1-2H3
InChIKeyLVKANRIIILGNCA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.68
Rot. Bonds5

About N-[2-(4-methylphenoxy)propyl]cyclohexanamine

N-[2-(4-methylphenoxy)propyl]cyclohexanamine (PubChem CID 54797714) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)propyl]cyclohexanamine
PubChem CID54797714
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(4-methylphenoxy)propyl]cyclohexanamine
SMILESCc1ccc(OC(C)CNC2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13-8-10-16(11-9-13)18-14(2)12-17-15-6-4-3-5-7-15/h8-11,14-15,17H,3-7,12H2,1-2H3
InChIKeyLVKANRIIILGNCA-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
N-[2-(2-fluoro-5-methylphenoxy)propyl]cyclohexanamine
CID 64854515
N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine
CID 54797698
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[2-(4-methylphenoxy)propyl]cyclohexanamine (CID 54797714) is N-[2-(4-methylphenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-methylphenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-methylphenoxy)propyl]cyclohexanamine is Cc1ccc(OC(C)CNC2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)propyl]cyclohexanamine?
The InChIKey is LVKANRIIILGNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-8-10-16(11-9-13)18-14(2)12-17-15-6-4-3-5-7-15/h8-11,14-15,17H,3-7,12H2,1-2H3.
What are the key properties of N-[2-(4-methylphenoxy)propyl]cyclohexanamine?
N-[2-(4-methylphenoxy)propyl]cyclohexanamine has a molecular weight of 247.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 54797714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).