N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline

C18H21N — CID 79978662

IUPACN-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(C3CC3)cc2)c(C)c1
InChIInChI=1S/C18H21N/c1-13-3-10-18(14(2)11-13)19-12-15-4-6-16(7-5-15)17-8-9-17/h3-7,10-11,17,19H,8-9,12H2,1-2H3
InChIKeyHGVWAPLTZAJHHB-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.79
Rot. Bonds4

About N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline

N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline (PubChem CID 79978662) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline
PubChem CID79978662
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(C3CC3)cc2)c(C)c1
InChIInChI=1S/C18H21N/c1-13-3-10-18(14(2)11-13)19-12-15-4-6-16(7-5-15)17-8-9-17/h3-7,10-11,17,19H,8-9,12H2,1-2H3
InChIKeyHGVWAPLTZAJHHB-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol
CID 79978851
2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline
CID 79979427
2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 30053969
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2,4-dimethylaniline
CID 60869337
N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 79978801
4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline
CID 79979115
3-bromo-N-[(4-cyclopropylphenyl)methyl]-2-methylaniline
CID 107629796
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline
CID 115350196
2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]-5-methoxyaniline
CID 103411352
N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline
CID 107037421
3-bromo-4-[(4-cyclopropylphenyl)methylamino]benzonitrile
CID 79978703

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline (CID 79978662) is N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline is Cc1ccc(NCc2ccc(C3CC3)cc2)c(C)c1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline?
The InChIKey is HGVWAPLTZAJHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-3-10-18(14(2)11-13)19-12-15-4-6-16(7-5-15)17-8-9-17/h3-7,10-11,17,19H,8-9,12H2,1-2H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline?
N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline has a molecular weight of 251.37 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 79978662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).