N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline

C18H24N2 — CID 64584405

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline
SMILESCCCCN(Cc1cccc(CN)c1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-3-12-20(18-10-5-4-6-11-18)15-17-9-7-8-16(13-17)14-19/h4-11,13H,2-3,12,14-15,19H2,1H3
InChIKeyLKMUYQVWFDVBHS-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.95
Rot. Bonds7

About N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline

N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline (PubChem CID 64584405) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline
PubChem CID64584405
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline
SMILESCCCCN(Cc1cccc(CN)c1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-3-12-20(18-10-5-4-6-11-18)15-17-9-7-8-16(13-17)14-19/h4-11,13H,2-3,12,14-15,19H2,1H3
InChIKeyLKMUYQVWFDVBHS-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584404
3-(aminomethyl)-N-butyl-N-propylaniline
CID 143588323
3-[(N-butylanilino)methyl]benzenecarboximidamide
CID 64585202
4-[(N-butylanilino)methyl]pyridin-2-amine
CID 64585240
4-[(N-butylanilino)methyl]pyridine-2-carbothioamide
CID 64592322
4-[(N-butylanilino)methyl]-2,6-dimethylphenol
CID 82965621
N-benzyl-N-propylaniline
CID 14671265
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline
CID 64763898
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
N-[[2-(2-aminoethyl)phenyl]methyl]-N-butylaniline
CID 64586180
[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 61029753

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline (CID 64584405) is N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline is CCCCN(Cc1cccc(CN)c1)c1ccccc1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline?
The InChIKey is LKMUYQVWFDVBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-3-12-20(18-10-5-4-6-11-18)15-17-9-7-8-16(13-17)14-19/h4-11,13H,2-3,12,14-15,19H2,1H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline?
N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline has a molecular weight of 268.40 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline is sourced from PubChem (CID 64584405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).