3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine

C16H25NO2 — CID 130373010

IUPAC3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine
SMILESCC1(OOc2cccc(CCCN)c2)CCCCC1
InChIInChI=1S/C16H25NO2/c1-16(10-3-2-4-11-16)19-18-15-9-5-7-14(13-15)8-6-12-17/h5,7,9,13H,2-4,6,8,10-12,17H2,1H3
InChIKeyREKCBUWRMRMNQW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.61
Rot. Bonds6

About 3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine

3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine (PubChem CID 130373010) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine
PubChem CID130373010
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine
SMILESCC1(OOc2cccc(CCCN)c2)CCCCC1
InChIInChI=1S/C16H25NO2/c1-16(10-3-2-4-11-16)19-18-15-9-5-7-14(13-15)8-6-12-17/h5,7,9,13H,2-4,6,8,10-12,17H2,1H3
InChIKeyREKCBUWRMRMNQW-UHFFFAOYSA-N
XLogP3.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine
CID 71018372
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858
1-[(3-butylphenoxy)methyl]cycloheptan-1-ol
CID 69097308
1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane
CID 118144717
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698
3-(3-methylphenyl)propan-1-amine
CID 12666388
1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol
CID 153216457
1-[[3-(3-aminopropyl)phenoxy]methyl]-3-methylidenecyclobutan-1-ol
CID 137444567
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
3-[3-(3-aminopropyl)phenoxy]-3-methylbutan-2-one
CID 20605201
1-[2-(3-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 67382706

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine?
The IUPAC name of 3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine (CID 130373010) is 3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine?
The canonical SMILES for 3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine is CC1(OOc2cccc(CCCN)c2)CCCCC1.
What is the InChIKey of 3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine?
The InChIKey is REKCBUWRMRMNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(10-3-2-4-11-16)19-18-15-9-5-7-14(13-15)8-6-12-17/h5,7,9,13H,2-4,6,8,10-12,17H2,1H3.
What are the key properties of 3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine?
3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylcyclohexyl)peroxyphenyl]propan-1-amine is sourced from PubChem (CID 130373010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).