2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine

C11H16ClN3 — CID 144642215

IUPAC2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine
SMILESCC(C)C(Nc1ccc(Cl)cc1)=C(N)N
InChIInChI=1S/C11H16ClN3/c1-7(2)10(11(13)14)15-9-5-3-8(12)4-6-9/h3-7,15H,13-14H2,1-2H3
InChIKeyAUJWMWAFSHZCAX-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.49
Rot. Bonds3

About 2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine

2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine (PubChem CID 144642215) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine
PubChem CID144642215
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine
SMILESCC(C)C(Nc1ccc(Cl)cc1)=C(N)N
InChIInChI=1S/C11H16ClN3/c1-7(2)10(11(13)14)15-9-5-3-8(12)4-6-9/h3-7,15H,13-14H2,1-2H3
InChIKeyAUJWMWAFSHZCAX-UHFFFAOYSA-N
XLogP2.49
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-N-(4-chlorophenyl)-3-methylbutanamide
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1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
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2-(4-chloroanilino)propanamide
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N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197
4-amino-N-(4-chlorophenyl)-2-methyl-4-sulfanylidenebutanamide
CID 82120627
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
methyl (2S)-2-(4-chloroanilino)propanoate
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N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
3-chloro-N-(4-chlorophenyl)butanamide
CID 10681053

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine?
The IUPAC name of 2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine (CID 144642215) is 2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine is CC(C)C(Nc1ccc(Cl)cc1)=C(N)N.
What is the InChIKey of 2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine?
The InChIKey is AUJWMWAFSHZCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-7(2)10(11(13)14)15-9-5-3-8(12)4-6-9/h3-7,15H,13-14H2,1-2H3.
What are the key properties of 2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine?
2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine has a molecular weight of 225.72 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine is sourced from PubChem (CID 144642215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).