[3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine

C16H25NO2 — CID 65051676

IUPAC[3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine
SMILESCC1CCC(CN)(OCCCOc2ccccc2)C1
InChIInChI=1S/C16H25NO2/c1-14-8-9-16(12-14,13-17)19-11-5-10-18-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13,17H2,1H3
InChIKeyBKKDWKVJPHFCCN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds7

About [3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine

[3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine (PubChem CID 65051676) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine
PubChem CID65051676
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine
SMILESCC1CCC(CN)(OCCCOc2ccccc2)C1
InChIInChI=1S/C16H25NO2/c1-14-8-9-16(12-14,13-17)19-11-5-10-18-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13,17H2,1H3
InChIKeyBKKDWKVJPHFCCN-UHFFFAOYSA-N
XLogP2.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-methyl-1-(2-pyridin-2-ylethoxy)cyclopentyl]methanamine
CID 65051527
[1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine
CID 62109697
[1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine
CID 65093753
4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
CID 55157069
[1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine
CID 65052054
3-methyl-1-(3-phenoxypropyl)cyclopentane-1-carbonitrile
CID 65401453
[3-methyl-1-(quinolin-2-ylmethoxy)cyclopentyl]methanamine
CID 65051897
4-[1-(aminomethyl)-3-methylcyclohexyl]oxybutan-1-ol
CID 65052251
3-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N,N-dimethylpropanamide
CID 65051629
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187
[1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 62109260
[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 63932832

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine?
The IUPAC name of [3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine (CID 65051676) is [3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine.
What is the SMILES notation for [3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine?
The canonical SMILES for [3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine is CC1CCC(CN)(OCCCOc2ccccc2)C1.
What is the InChIKey of [3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine?
The InChIKey is BKKDWKVJPHFCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-8-9-16(12-14,13-17)19-11-5-10-18-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13,17H2,1H3.
What are the key properties of [3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine?
[3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine is sourced from PubChem (CID 65051676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).