N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline

C18H24N2 — CID 64584404

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline
SMILESCCCCN(Cc1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-3-13-20(18-7-5-4-6-8-18)15-17-11-9-16(14-19)10-12-17/h4-12H,2-3,13-15,19H2,1H3
InChIKeyUYANUKDWCHROEE-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.95
Rot. Bonds7

About N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline

N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline (PubChem CID 64584404) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline
PubChem CID64584404
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline
SMILESCCCCN(Cc1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-3-13-20(18-7-5-4-6-8-18)15-17-11-9-16(14-19)10-12-17/h4-12H,2-3,13-15,19H2,1H3
InChIKeyUYANUKDWCHROEE-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-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584405
N-benzyl-N-propylaniline
CID 14671265
N-[[2-(2-aminoethyl)phenyl]methyl]-N-butylaniline
CID 64586180
3-(aminomethyl)-N-butyl-N-propylaniline
CID 143588323
4-[(N-butylanilino)methyl]-2,6-dimethylphenol
CID 82965621
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline
CID 64763898
4-[(N-butylanilino)methyl]pyridin-2-amine
CID 64585240
4-(aminomethyl)-N-ethyl-N-octylaniline
CID 43275853
4-(aminomethyl)-N-octyl-N-propylaniline
CID 43275934
N-butyl-N-[(6-chloro-2-pyridinyl)methyl]aniline
CID 79241318
3-[(N-butylanilino)methyl]benzenecarboximidamide
CID 64585202
4-[(N-butylanilino)methyl]pyridine-2-carbothioamide
CID 64592322

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline (CID 64584404) is N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline is CCCCN(Cc1ccc(CN)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline?
The InChIKey is UYANUKDWCHROEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-3-13-20(18-7-5-4-6-8-18)15-17-11-9-16(14-19)10-12-17/h4-12H,2-3,13-15,19H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline?
N-[[4-(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-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline is sourced from PubChem (CID 64584404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).