4-(3-aminopropyl)-N,N-dibenzylaniline

C23H26N2 — CID 173288606

IUPAC4-(3-aminopropyl)-N,N-dibenzylaniline
SMILESNCCCc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H26N2/c24-17-7-12-20-13-15-23(16-14-20)25(18-21-8-3-1-4-9-21)19-22-10-5-2-6-11-22/h1-6,8-11,13-16H,7,12,17-19,24H2
InChIKeyCYKXKDOBHHXUGV-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.78
Rot. Bonds8

About 4-(3-aminopropyl)-N,N-dibenzylaniline

4-(3-aminopropyl)-N,N-dibenzylaniline (PubChem CID 173288606) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N,N-dibenzylaniline.

Molecular Properties

Compound Name4-(3-aminopropyl)-N,N-dibenzylaniline
PubChem CID173288606
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name4-(3-aminopropyl)-N,N-dibenzylaniline
SMILESNCCCc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H26N2/c24-17-7-12-20-13-15-23(16-14-20)25(18-21-8-3-1-4-9-21)19-22-10-5-2-6-11-22/h1-6,8-11,13-16H,7,12,17-19,24H2
InChIKeyCYKXKDOBHHXUGV-UHFFFAOYSA-N
XLogP4.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

benzene;3-phenylpropan-1-amine
CID 174865683
4-(2-aminoethyl)-N-benzyl-N-ethylaniline
CID 63783223
N,N-dibenzylaniline
CID 139071697
N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine
CID 114333029
3-phenylpropan-1-amine;propane
CID 70273467
N-benzyl-N-(5-phenylpentyl)aniline
CID 18790289
N-benzyl-N-(3-pyridin-4-ylpropyl)aniline
CID 155930711
13-phenyltridecan-1-amine
CID 19801439
4-phenylbutan-1-amine;hydrochloride
CID 44630065
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine
CID 70449343
N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
CID 142549273

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N,N-dibenzylaniline?
The IUPAC name of 4-(3-aminopropyl)-N,N-dibenzylaniline (CID 173288606) is 4-(3-aminopropyl)-N,N-dibenzylaniline.
What is the SMILES notation for 4-(3-aminopropyl)-N,N-dibenzylaniline?
The canonical SMILES for 4-(3-aminopropyl)-N,N-dibenzylaniline is NCCCc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 4-(3-aminopropyl)-N,N-dibenzylaniline?
The InChIKey is CYKXKDOBHHXUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c24-17-7-12-20-13-15-23(16-14-20)25(18-21-8-3-1-4-9-21)19-22-10-5-2-6-11-22/h1-6,8-11,13-16H,7,12,17-19,24H2.
What are the key properties of 4-(3-aminopropyl)-N,N-dibenzylaniline?
4-(3-aminopropyl)-N,N-dibenzylaniline has a molecular weight of 330.48 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N,N-dibenzylaniline is sourced from PubChem (CID 173288606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).