4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline

C19H25N — CID 60685123

IUPAC4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
SMILESCCCCc1ccc(NCc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H25N/c1-4-5-6-17-7-9-19(10-8-17)20-14-18-12-15(2)11-16(3)13-18/h7-13,20H,4-6,14H2,1-3H3
InChIKeyDLMICJGPLQSGRG-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.26
Rot. Bonds6

About 4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline

4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline (PubChem CID 60685123) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
PubChem CID60685123
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
SMILESCCCCc1ccc(NCc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H25N/c1-4-5-6-17-7-9-19(10-8-17)20-14-18-12-15(2)11-16(3)13-18/h7-13,20H,4-6,14H2,1-3H3
InChIKeyDLMICJGPLQSGRG-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880730
4-[(4-butylanilino)methyl]-2,6-dimethylphenol
CID 28932398
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661
N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline
CID 102880731
4-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
CID 28781531
4-butyl-N-(pyridin-3-ylmethyl)aniline
CID 28675603
N-[4-[(4-butylanilino)methyl]phenyl]-2-methylpropane-2-sulfinamide
CID 70939371
4-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 63880716
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
4-butyl-N-(2-methylpentyl)aniline
CID 43108404

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline?
The IUPAC name of 4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline (CID 60685123) is 4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline.
What is the SMILES notation for 4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline?
The canonical SMILES for 4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline is CCCCc1ccc(NCc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline?
The InChIKey is DLMICJGPLQSGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-4-5-6-17-7-9-19(10-8-17)20-14-18-12-15(2)11-16(3)13-18/h7-13,20H,4-6,14H2,1-3H3.
What are the key properties of 4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline?
4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline has a molecular weight of 267.42 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline is sourced from PubChem (CID 60685123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).