4-[2-[benzyl(ethyl)amino]propyl]aniline

C18H24N2 — CID 82255967

IUPAC4-[2-[benzyl(ethyl)amino]propyl]aniline
SMILESCCN(Cc1ccccc1)C(C)Cc1ccc(N)cc1
InChIInChI=1S/C18H24N2/c1-3-20(14-17-7-5-4-6-8-17)15(2)13-16-9-11-18(19)12-10-16/h4-12,15H,3,13-14,19H2,1-2H3
InChIKeyJVUVXIWWLOFKSA-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.72
Rot. Bonds6

About 4-[2-[benzyl(ethyl)amino]propyl]aniline

4-[2-[benzyl(ethyl)amino]propyl]aniline (PubChem CID 82255967) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[2-[benzyl(ethyl)amino]propyl]aniline.

Molecular Properties

Compound Name4-[2-[benzyl(ethyl)amino]propyl]aniline
PubChem CID82255967
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[2-[benzyl(ethyl)amino]propyl]aniline
SMILESCCN(Cc1ccccc1)C(C)Cc1ccc(N)cc1
InChIInChI=1S/C18H24N2/c1-3-20(14-17-7-5-4-6-8-17)15(2)13-16-9-11-18(19)12-10-16/h4-12,15H,3,13-14,19H2,1-2H3
InChIKeyJVUVXIWWLOFKSA-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-phenylpropan-2-amine
CID 521361
4-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891822
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
1-benzyl-1-(1-phenylpropan-2-yl)hydrazine
CID 174361933
(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol
CID 58894379
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
CID 59895630
4-[2-[bis(prop-2-enyl)amino]propyl]aniline
CID 82255975
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine
CID 142069158

Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(ethyl)amino]propyl]aniline?
The IUPAC name of 4-[2-[benzyl(ethyl)amino]propyl]aniline (CID 82255967) is 4-[2-[benzyl(ethyl)amino]propyl]aniline.
What is the SMILES notation for 4-[2-[benzyl(ethyl)amino]propyl]aniline?
The canonical SMILES for 4-[2-[benzyl(ethyl)amino]propyl]aniline is CCN(Cc1ccccc1)C(C)Cc1ccc(N)cc1.
What is the InChIKey of 4-[2-[benzyl(ethyl)amino]propyl]aniline?
The InChIKey is JVUVXIWWLOFKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-20(14-17-7-5-4-6-8-17)15(2)13-16-9-11-18(19)12-10-16/h4-12,15H,3,13-14,19H2,1-2H3.
What are the key properties of 4-[2-[benzyl(ethyl)amino]propyl]aniline?
4-[2-[benzyl(ethyl)amino]propyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(ethyl)amino]propyl]aniline is sourced from PubChem (CID 82255967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).