2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine

C15H23NO — CID 55219712

IUPAC2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNCCOC2CCCC2)c1
InChIInChI=1S/C15H23NO/c1-13-5-4-6-14(11-13)12-16-9-10-17-15-7-2-3-8-15/h4-6,11,15-16H,2-3,7-10,12H2,1H3
InChIKeyBCQSSRMJQFETKA-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.04
Rot. Bonds6

About 2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine

2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 55219712) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID55219712
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNCCOC2CCCC2)c1
InChIInChI=1S/C15H23NO/c1-13-5-4-6-14(11-13)12-16-9-10-17-15-7-2-3-8-15/h4-6,11,15-16H,2-3,7-10,12H2,1H3
InChIKeyBCQSSRMJQFETKA-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyloxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880866
3-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251667
1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729329
N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine
CID 106862669
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79983771
2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115767735
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013435
3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 63645848
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine (CID 55219712) is 2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine is Cc1cccc(CNCCOC2CCCC2)c1.
What is the InChIKey of 2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is BCQSSRMJQFETKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-5-4-6-14(11-13)12-16-9-10-17-15-7-2-3-8-15/h4-6,11,15-16H,2-3,7-10,12H2,1H3.
What are the key properties of 2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine?
2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 55219712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).