N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline

C19H23NO — CID 39381668

IUPACN-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline
SMILESCc1ccccc1NCc1ccccc1OC1CCCC1
InChIInChI=1S/C19H23NO/c1-15-8-2-6-12-18(15)20-14-16-9-3-7-13-19(16)21-17-10-4-5-11-17/h2-3,6-9,12-13,17,20H,4-5,10-11,14H2,1H3
InChIKeyBTWSKQIUAPODPR-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.93
Rot. Bonds5

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

N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline (PubChem CID 39381668) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline
PubChem CID39381668
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline
SMILESCc1ccccc1NCc1ccccc1OC1CCCC1
InChIInChI=1S/C19H23NO/c1-15-8-2-6-12-18(15)20-14-16-9-3-7-13-19(16)21-17-10-4-5-11-17/h2-3,6-9,12-13,17,20H,4-5,10-11,14H2,1H3
InChIKeyBTWSKQIUAPODPR-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.93
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]aniline
CID 39366714
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
1-tert-butyl-3-[(2-cyclopentyloxyphenyl)methyl]-2-methylguanidine
CID 110964191
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969677
2-cyclopentyloxy-N-methylaniline
CID 130903637
2-[(2-methylanilino)methyl]phenol
CID 3240149
1-cyclopentyloxy-2-(2-methylpropyl)benzene
CID 142580992
N-[(2-cyclobutyloxyphenyl)methyl]pyrazin-2-amine
CID 133308784
2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
CID 120913321
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline?
The IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline (CID 39381668) is N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline is Cc1ccccc1NCc1ccccc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline?
The InChIKey is BTWSKQIUAPODPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-8-2-6-12-18(15)20-14-16-9-3-7-13-19(16)21-17-10-4-5-11-17/h2-3,6-9,12-13,17,20H,4-5,10-11,14H2,1H3.
What are the key properties of N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline?
N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline has a molecular weight of 281.40 g/mol, XLogP of 4.93, 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]-2-methylaniline is sourced from PubChem (CID 39381668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).