1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine

C18H25N3 — CID 65193818

IUPAC1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCC(NC(CN)c1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H25N3/c1-14(15-7-5-4-6-8-15)20-18(13-19)16-9-11-17(12-10-16)21(2)3/h4-12,14,18,20H,13,19H2,1-3H3
InChIKeyAJUYVKQKYFTVKZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.10
Rot. Bonds6

About 1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine

1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine (PubChem CID 65193818) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine
PubChem CID65193818
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCC(NC(CN)c1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H25N3/c1-14(15-7-5-4-6-8-15)20-18(13-19)16-9-11-17(12-10-16)21(2)3/h4-12,14,18,20H,13,19H2,1-3H3
InChIKeyAJUYVKQKYFTVKZ-UHFFFAOYSA-N
XLogP3.10
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969
1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine
CID 65380712
1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193661
3-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]butan-1-ol
CID 83177263
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
1-(3-bromo-4-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193601
1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193599
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
N-[1-(4-iodophenyl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768392
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine (CID 65193818) is 1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine is CC(NC(CN)c1ccc(N(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine?
The InChIKey is AJUYVKQKYFTVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(15-7-5-4-6-8-15)20-18(13-19)16-9-11-17(12-10-16)21(2)3/h4-12,14,18,20H,13,19H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine?
1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine has a molecular weight of 283.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 65193818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).