3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine

C12H18Cl2N2 — CID 117040409

IUPAC3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-9(5-6-15)16(2)8-10-3-4-11(13)7-12(10)14/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyNNMJEFCTANIKBF-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.16
Rot. Bonds5

About 3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine

3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine (PubChem CID 117040409) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
PubChem CID117040409
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-9(5-6-15)16(2)8-10-3-4-11(13)7-12(10)14/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyNNMJEFCTANIKBF-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(5-chloro-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225677
3-N-[(3-chlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 61413472
N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198677
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137
3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine
CID 117040414
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 102662933
N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55002707
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351
3-chloro-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]aniline
CID 112657781
N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
6-[(1R)-1-[(2,4-dichlorophenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 38234007

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine (CID 117040409) is 3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine is CC(CCN)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine?
The InChIKey is NNMJEFCTANIKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-9(5-6-15)16(2)8-10-3-4-11(13)7-12(10)14/h3-4,7,9H,5-6,8,15H2,1-2H3.
What are the key properties of 3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine?
3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine has a molecular weight of 261.20 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 117040409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).