N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine

C15H22ClNO — CID 106862669

IUPACN-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine
SMILESCc1ccc(CNCCOC2CCCC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-12-6-7-13(15(16)10-12)11-17-8-9-18-14-4-2-3-5-14/h6-7,10,14,17H,2-5,8-9,11H2,1H3
InChIKeyRGHIQDPQMPUWIF-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.70
Rot. Bonds6

About N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine

N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine (PubChem CID 106862669) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine
PubChem CID106862669
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine
SMILESCc1ccc(CNCCOC2CCCC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-12-6-7-13(15(16)10-12)11-17-8-9-18-14-4-2-3-5-14/h6-7,10,14,17H,2-5,8-9,11H2,1H3
InChIKeyRGHIQDPQMPUWIF-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.70
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-[(3-methylphenyl)methyl]ethanamine
CID 55219712
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115968035
2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol
CID 112554358
N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine
CID 66161355
2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 106862592
2-cyclohexyloxy-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 55220336
2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876414
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920
2-[3-[(2-chloro-4-methylphenyl)methylamino]propoxy]ethanol
CID 106309804
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol
CID 106869305
N-[(2-chloro-4-methylphenyl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 106862534

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine (CID 106862669) is N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine is Cc1ccc(CNCCOC2CCCC2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine?
The InChIKey is RGHIQDPQMPUWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12-6-7-13(15(16)10-12)11-17-8-9-18-14-4-2-3-5-14/h6-7,10,14,17H,2-5,8-9,11H2,1H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine?
N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine has a molecular weight of 267.80 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine is sourced from PubChem (CID 106862669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).