N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine

C17H27NO — CID 54797698

IUPACN-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine
SMILESCc1cccc(C)c1OC(C)CNC1CCCCC1
InChIInChI=1S/C17H27NO/c1-13-8-7-9-14(2)17(13)19-15(3)12-18-16-10-5-4-6-11-16/h7-9,15-16,18H,4-6,10-12H2,1-3H3
InChIKeyVHWVFRDJWDFSGH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.99
Rot. Bonds5

About N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine

N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine (PubChem CID 54797698) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine
PubChem CID54797698
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine
SMILESCc1cccc(C)c1OC(C)CNC1CCCCC1
InChIInChI=1S/C17H27NO/c1-13-8-7-9-14(2)17(13)19-15(3)12-18-16-10-5-4-6-11-16/h7-9,15-16,18H,4-6,10-12H2,1-3H3
InChIKeyVHWVFRDJWDFSGH-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
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-(2,3-dichlorophenoxy)propyl]cyclopentanamine
CID 62599040
N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
N-[2-(2-fluoro-5-methylphenoxy)propyl]cyclohexanamine
CID 64854515
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 43090638

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine (CID 54797698) is N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine is Cc1cccc(C)c1OC(C)CNC1CCCCC1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine?
The InChIKey is VHWVFRDJWDFSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-8-7-9-14(2)17(13)19-15(3)12-18-16-10-5-4-6-11-16/h7-9,15-16,18H,4-6,10-12H2,1-3H3.
What are the key properties of N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine?
N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine has a molecular weight of 261.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 54797698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).