N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine

C12H17Cl2N — CID 5150681

IUPACN-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-4-7-15(2)9-10-5-6-11(13)8-12(10)14/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyFCWUYEKYAHIFTO-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.23
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine

N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine (PubChem CID 5150681) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
PubChem CID5150681
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-4-7-15(2)9-10-5-6-11(13)8-12(10)14/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyFCWUYEKYAHIFTO-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 115215774
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351
4-[[butyl(methyl)amino]methyl]-3-chlorobenzoic acid
CID 102669802
N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
CID 117059460
4-[[butyl(methyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667717
1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258760
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 115598263
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
N-[(2,4-dichlorophenyl)methyl]-N-methylpropane-1-sulfonamide
CID 61383905
N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55002903
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine (CID 5150681) is N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine?
The InChIKey is FCWUYEKYAHIFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-3-4-7-15(2)9-10-5-6-11(13)8-12(10)14/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine?
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 5150681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).