2,4-bis[phenyl(propylamino)methyl]-N-propylaniline

C29H39N3 — CID 54550409

IUPAC2,4-bis[phenyl(propylamino)methyl]-N-propylaniline
SMILESCCCNc1ccc(C(NCCC)c2ccccc2)cc1C(NCCC)c1ccccc1
InChIInChI=1S/C29H39N3/c1-4-19-30-27-18-17-25(28(31-20-5-2)23-13-9-7-10-14-23)22-26(27)29(32-21-6-3)24-15-11-8-12-16-24/h7-18,22,28-32H,4-6,19-21H2,1-3H3
InChIKeyZJMLANHOWQSEAF-UHFFFAOYSA-N
MW429.65 g/mol
LogP6.69
Rot. Bonds13

About 2,4-bis[phenyl(propylamino)methyl]-N-propylaniline

2,4-bis[phenyl(propylamino)methyl]-N-propylaniline (PubChem CID 54550409) has the molecular formula C29H39N3 and a molecular weight of 429.65 g/mol. Its IUPAC name is 2,4-bis[phenyl(propylamino)methyl]-N-propylaniline.

Molecular Properties

Compound Name2,4-bis[phenyl(propylamino)methyl]-N-propylaniline
PubChem CID54550409
Molecular FormulaC29H39N3
Molecular Weight429.65 g/mol
Exact Mass429.31
IUPAC Name2,4-bis[phenyl(propylamino)methyl]-N-propylaniline
SMILESCCCNc1ccc(C(NCCC)c2ccccc2)cc1C(NCCC)c1ccccc1
InChIInChI=1S/C29H39N3/c1-4-19-30-27-18-17-25(28(31-20-5-2)23-13-9-7-10-14-23)22-26(27)29(32-21-6-3)24-15-11-8-12-16-24/h7-18,22,28-32H,4-6,19-21H2,1-3H3
InChIKeyZJMLANHOWQSEAF-UHFFFAOYSA-N
XLogP6.69
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.65
LogP ≤ 56.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
CID 43494885
N-[(4-ethylphenyl)-phenylmethyl]propan-1-amine
CID 43494878
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
CID 43494881
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 43497591
N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
CID 79595968
N-benzhydryl-N'-tert-butylethane-1,2-diamine
CID 107444623
N-benzhydryldecan-1-amine
CID 57251579

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[phenyl(propylamino)methyl]-N-propylaniline?
The IUPAC name of 2,4-bis[phenyl(propylamino)methyl]-N-propylaniline (CID 54550409) is 2,4-bis[phenyl(propylamino)methyl]-N-propylaniline.
What is the SMILES notation for 2,4-bis[phenyl(propylamino)methyl]-N-propylaniline?
The canonical SMILES for 2,4-bis[phenyl(propylamino)methyl]-N-propylaniline is CCCNc1ccc(C(NCCC)c2ccccc2)cc1C(NCCC)c1ccccc1.
What is the InChIKey of 2,4-bis[phenyl(propylamino)methyl]-N-propylaniline?
The InChIKey is ZJMLANHOWQSEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3/c1-4-19-30-27-18-17-25(28(31-20-5-2)23-13-9-7-10-14-23)22-26(27)29(32-21-6-3)24-15-11-8-12-16-24/h7-18,22,28-32H,4-6,19-21H2,1-3H3.
What are the key properties of 2,4-bis[phenyl(propylamino)methyl]-N-propylaniline?
2,4-bis[phenyl(propylamino)methyl]-N-propylaniline has a molecular weight of 429.65 g/mol, XLogP of 6.69, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[phenyl(propylamino)methyl]-N-propylaniline is sourced from PubChem (CID 54550409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).