N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline

C18H21NO — CID 43757802

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline
SMILESCOc1ccccc1NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C18H21NO/c1-13-7-9-14(10-8-13)18(15-11-12-15)19-16-5-3-4-6-17(16)20-2/h3-10,15,18-19H,11-12H2,1-2H3
InChIKeyOHEOPAMNDOKRGA-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.57
Rot. Bonds5

About N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline

N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline (PubChem CID 43757802) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline
PubChem CID43757802
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline
SMILESCOc1ccccc1NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C18H21NO/c1-13-7-9-14(10-8-13)18(15-11-12-15)19-16-5-3-4-6-17(16)20-2/h3-10,15,18-19H,11-12H2,1-2H3
InChIKeyOHEOPAMNDOKRGA-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile
CID 43433077
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-nitroaniline
CID 32806144
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43763348
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate
CID 7148291
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol
CID 43790697
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772771
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylaniline
CID 43757682
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline
CID 63454650

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline (CID 43757802) is N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline is COc1ccccc1NC(c1ccc(C)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline?
The InChIKey is OHEOPAMNDOKRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-7-9-14(10-8-13)18(15-11-12-15)19-16-5-3-4-6-17(16)20-2/h3-10,15,18-19H,11-12H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline?
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline has a molecular weight of 267.37 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline is sourced from PubChem (CID 43757802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).