3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline

C19H24N2 — CID 61030225

IUPAC3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline
SMILESCc1cc(C)cc(CN(Cc2cccc(N)c2)C2CC2)c1
InChIInChI=1S/C19H24N2/c1-14-8-15(2)10-17(9-14)13-21(19-6-7-19)12-16-4-3-5-18(20)11-16/h3-5,8-11,19H,6-7,12-13,20H2,1-2H3
InChIKeyYEAYQVZJCPGOKW-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.05
Rot. Bonds5

About 3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline

3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline (PubChem CID 61030225) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline
PubChem CID61030225
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline
SMILESCc1cc(C)cc(CN(Cc2cccc(N)c2)C2CC2)c1
InChIInChI=1S/C19H24N2/c1-14-8-15(2)10-17(9-14)13-21(19-6-7-19)12-16-4-3-5-18(20)11-16/h3-5,8-11,19H,6-7,12-13,20H2,1-2H3
InChIKeyYEAYQVZJCPGOKW-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43460831
3-[[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]methyl]aniline
CID 43460843
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline
CID 115563307
3-[[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline
CID 82865728
N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine
CID 62254254
4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile
CID 63880970
3-[[cyclopropyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]methyl]aniline
CID 116522195
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide
CID 43460760
3-[[benzyl(cyclopropyl)amino]methyl]-5-methoxyaniline
CID 81145623

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline?
The IUPAC name of 3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline (CID 61030225) is 3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline.
What is the SMILES notation for 3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline?
The canonical SMILES for 3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline is Cc1cc(C)cc(CN(Cc2cccc(N)c2)C2CC2)c1.
What is the InChIKey of 3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline?
The InChIKey is YEAYQVZJCPGOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-14-8-15(2)10-17(9-14)13-21(19-6-7-19)12-16-4-3-5-18(20)11-16/h3-5,8-11,19H,6-7,12-13,20H2,1-2H3.
What are the key properties of 3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline?
3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline has a molecular weight of 280.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline is sourced from PubChem (CID 61030225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).