N-[(2-cyclopentyloxyphenyl)methyl]aniline

C18H21NO — CID 39366714

IUPACN-[(2-cyclopentyloxyphenyl)methyl]aniline
SMILESc1ccc(NCc2ccccc2OC2CCCC2)cc1
InChIInChI=1S/C18H21NO/c1-2-9-16(10-3-1)19-14-15-8-4-7-13-18(15)20-17-11-5-6-12-17/h1-4,7-10,13,17,19H,5-6,11-12,14H2
InChIKeyQMKYTKFPRCLANV-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.62
Rot. Bonds5

About N-[(2-cyclopentyloxyphenyl)methyl]aniline

N-[(2-cyclopentyloxyphenyl)methyl]aniline (PubChem CID 39366714) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(2-cyclopentyloxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(2-cyclopentyloxyphenyl)methyl]aniline
PubChem CID39366714
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(2-cyclopentyloxyphenyl)methyl]aniline
SMILESc1ccc(NCc2ccccc2OC2CCCC2)cc1
InChIInChI=1S/C18H21NO/c1-2-9-16(10-3-1)19-14-15-8-4-7-13-18(15)20-17-11-5-6-12-17/h1-4,7-10,13,17,19H,5-6,11-12,14H2
InChIKeyQMKYTKFPRCLANV-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline
CID 39405460
N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline
CID 39381668
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
CID 120913321
5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 122053135
4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509881
N-[(2-cyclobutyloxyphenyl)methyl]pyrazin-2-amine
CID 133308784
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969677
N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410366
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
1-tert-butyl-3-[(2-cyclopentyloxyphenyl)methyl]-2-methylguanidine
CID 110964191

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]aniline?
The IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]aniline (CID 39366714) is N-[(2-cyclopentyloxyphenyl)methyl]aniline.
What is the SMILES notation for N-[(2-cyclopentyloxyphenyl)methyl]aniline?
The canonical SMILES for N-[(2-cyclopentyloxyphenyl)methyl]aniline is c1ccc(NCc2ccccc2OC2CCCC2)cc1.
What is the InChIKey of N-[(2-cyclopentyloxyphenyl)methyl]aniline?
The InChIKey is QMKYTKFPRCLANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-9-16(10-3-1)19-14-15-8-4-7-13-18(15)20-17-11-5-6-12-17/h1-4,7-10,13,17,19H,5-6,11-12,14H2.
What are the key properties of N-[(2-cyclopentyloxyphenyl)methyl]aniline?
N-[(2-cyclopentyloxyphenyl)methyl]aniline has a molecular weight of 267.37 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxyphenyl)methyl]aniline is sourced from PubChem (CID 39366714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).