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

C18H21NO — CID 43765997

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NC(c2ccc(C)cc2)C2CC2)cc1
InChIInChI=1S/C18H21NO/c1-13-3-5-14(6-4-13)18(15-7-8-15)19-16-9-11-17(20-2)12-10-16/h3-6,9-12,15,18-19H,7-8H2,1-2H3
InChIKeyXBCMYQRRHFULTJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.57
Rot. Bonds5

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

N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline (PubChem CID 43765997) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
PubChem CID43765997
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NC(c2ccc(C)cc2)C2CC2)cc1
InChIInChI=1S/C18H21NO/c1-13-3-5-14(6-4-13)18(15-7-8-15)19-16-9-11-17(20-2)12-10-16/h3-6,9-12,15,18-19H,7-8H2,1-2H3
InChIKeyXBCMYQRRHFULTJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 43764004
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
CID 43765565
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759158
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol
CID 43790697
2-[(S)-(4-methoxyanilino)-(4-methylphenyl)methyl]cyclohexan-1-one
CID 134926686
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[1,4-dioxan-2-yl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 162409373
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline
CID 43757802
2,6-dichloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 65467984
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720731

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline (CID 43765997) is N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline is COc1ccc(NC(c2ccc(C)cc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline?
The InChIKey is XBCMYQRRHFULTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-3-5-14(6-4-13)18(15-7-8-15)19-16-9-11-17(20-2)12-10-16/h3-6,9-12,15,18-19H,7-8H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline?
N-[cyclopropyl-(4-methylphenyl)methyl]-4-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]-4-methoxyaniline is sourced from PubChem (CID 43765997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).