3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine

C17H27NO — CID 71018372

IUPAC3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine
SMILESCC1(COc2cccc(CCCN)c2)CCCCC1
InChIInChI=1S/C17H27NO/c1-17(10-3-2-4-11-17)14-19-16-9-5-7-15(13-16)8-6-12-18/h5,7,9,13H,2-4,6,8,10-12,14,18H2,1H3
InChIKeyKASSUAZTUWISGV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.93
Rot. Bonds6

About 3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine

3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine (PubChem CID 71018372) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine
PubChem CID71018372
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine
SMILESCC1(COc2cccc(CCCN)c2)CCCCC1
InChIInChI=1S/C17H27NO/c1-17(10-3-2-4-11-17)14-19-16-9-5-7-15(13-16)8-6-12-18/h5,7,9,13H,2-4,6,8,10-12,14,18H2,1H3
InChIKeyKASSUAZTUWISGV-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine
CID 130373010
1-[(3-butylphenoxy)methyl]cycloheptan-1-ol
CID 69097308
1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane
CID 118144717
1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol
CID 153216457
1-[[3-(3-aminopropyl)phenoxy]methyl]-3-methylidenecyclobutan-1-ol
CID 137444567
[3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine
CID 68709013
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine
CID 170867815
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
CID 65001286
3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine
CID 143785905
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858
1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol
CID 130373175

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine (CID 71018372) is 3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine is CC1(COc2cccc(CCCN)c2)CCCCC1.
What is the InChIKey of 3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine?
The InChIKey is KASSUAZTUWISGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(10-3-2-4-11-17)14-19-16-9-5-7-15(13-16)8-6-12-18/h5,7,9,13H,2-4,6,8,10-12,14,18H2,1H3.
What are the key properties of 3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine?
3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 71018372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).