3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine

C19H31NO — CID 143785986

IUPAC3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine
SMILESCCCC(CCN)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C19H31NO/c1-2-7-17(12-13-20)18-10-6-11-19(14-18)21-15-16-8-4-3-5-9-16/h6,10-11,14,16-17H,2-5,7-9,12-13,15,20H2,1H3
InChIKeyXAJDBWQPULHHOF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.88
Rot. Bonds8

About 3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine

3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine (PubChem CID 143785986) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine.

Molecular Properties

Compound Name3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine
PubChem CID143785986
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine
SMILESCCCC(CCN)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C19H31NO/c1-2-7-17(12-13-20)18-10-6-11-19(14-18)21-15-16-8-4-3-5-9-16/h6,10-11,14,16-17H,2-5,7-9,12-13,15,20H2,1H3
InChIKeyXAJDBWQPULHHOF-UHFFFAOYSA-N
XLogP4.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
CID 170002396
(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
CID 174358586
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
(1S,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propane-1,2-diol
CID 58027593
(1S,2R)-2,3-diamino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 130347435
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375
2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine
CID 163732576
2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
CID 67316667
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine?
The IUPAC name of 3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine (CID 143785986) is 3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine.
What is the SMILES notation for 3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine?
The canonical SMILES for 3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine is CCCC(CCN)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine?
The InChIKey is XAJDBWQPULHHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-7-17(12-13-20)18-10-6-11-19(14-18)21-15-16-8-4-3-5-9-16/h6,10-11,14,16-17H,2-5,7-9,12-13,15,20H2,1H3.
What are the key properties of 3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine?
3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine is sourced from PubChem (CID 143785986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).