4-methyl-N,N-diphenyl-3-propylaniline

C22H23N — CID 141411343

IUPAC4-methyl-N,N-diphenyl-3-propylaniline
SMILESCCCc1cc(N(c2ccccc2)c2ccccc2)ccc1C
InChIInChI=1S/C22H23N/c1-3-10-19-17-22(16-15-18(19)2)23(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-17H,3,10H2,1-2H3
InChIKeyKTGRGPQWSJAWOM-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.42
Rot. Bonds5

About 4-methyl-N,N-diphenyl-3-propylaniline

4-methyl-N,N-diphenyl-3-propylaniline (PubChem CID 141411343) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-methyl-N,N-diphenyl-3-propylaniline.

Molecular Properties

Compound Name4-methyl-N,N-diphenyl-3-propylaniline
PubChem CID141411343
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name4-methyl-N,N-diphenyl-3-propylaniline
SMILESCCCc1cc(N(c2ccccc2)c2ccccc2)ccc1C
InChIInChI=1S/C22H23N/c1-3-10-19-17-22(16-15-18(19)2)23(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-17H,3,10H2,1-2H3
InChIKeyKTGRGPQWSJAWOM-UHFFFAOYSA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-[[2-methyl-4-(N-phenylanilino)phenoxy]methyl]-N,N-diphenylaniline
CID 154971554
4-methyl-1-N,3-N-diphenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 158926819
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
[5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol
CID 59148672
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
4-(benzenesulfonyl)-1-methyl-2-propylbenzene
CID 143209762
3-ethyl-N,N-diphenyl-4-propan-2-ylaniline
CID 153273893
6-butyl-N,N-bis(3-hexyl-4-methylphenyl)naphthalen-2-amine
CID 130398276
2-methyl-1-N,3-N-bis[2-methyl-5-(N-phenylanilino)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 170274288

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-diphenyl-3-propylaniline?
The IUPAC name of 4-methyl-N,N-diphenyl-3-propylaniline (CID 141411343) is 4-methyl-N,N-diphenyl-3-propylaniline.
What is the SMILES notation for 4-methyl-N,N-diphenyl-3-propylaniline?
The canonical SMILES for 4-methyl-N,N-diphenyl-3-propylaniline is CCCc1cc(N(c2ccccc2)c2ccccc2)ccc1C.
What is the InChIKey of 4-methyl-N,N-diphenyl-3-propylaniline?
The InChIKey is KTGRGPQWSJAWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-3-10-19-17-22(16-15-18(19)2)23(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-17H,3,10H2,1-2H3.
What are the key properties of 4-methyl-N,N-diphenyl-3-propylaniline?
4-methyl-N,N-diphenyl-3-propylaniline has a molecular weight of 301.43 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-diphenyl-3-propylaniline is sourced from PubChem (CID 141411343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).