4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine

C16H20N2 — CID 28894846

IUPAC4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
SMILESCN(CCCc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C16H20N2/c1-18(16-11-9-15(17)10-12-16)13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13,17H2,1H3
InChIKeyKOCXQYQAHHVZLE-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.34
Rot. Bonds5

About 4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine

4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine (PubChem CID 28894846) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
PubChem CID28894846
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
SMILESCN(CCCc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C16H20N2/c1-18(16-11-9-15(17)10-12-16)13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13,17H2,1H3
InChIKeyKOCXQYQAHHVZLE-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-methyl-3-N-(4-phenylbutyl)benzene-1,3-diamine
CID 114333894
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
4-N-methyl-4-N-[2-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041307
4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163976726
4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 63233710
4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041336
4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline
CID 81273880
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
2-[2-amino-5-[methyl(3-phenylpropyl)amino]phenyl]acetonitrile
CID 102623928
aniline;N-benzyl-N-methylaniline
CID 163577424
N,4-dibutyl-N-methylaniline
CID 118183375
4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
CID 139610100

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine (CID 28894846) is 4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine is CN(CCCc1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine?
The InChIKey is KOCXQYQAHHVZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-18(16-11-9-15(17)10-12-16)13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13,17H2,1H3.
What are the key properties of 4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine?
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 28894846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).