N-[(3,5-dichlorophenyl)methyl]butan-2-amine

C11H15Cl2N — CID 46736337

IUPACN-[(3,5-dichlorophenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2N/c1-3-8(2)14-7-9-4-10(12)6-11(13)5-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyOVWFKVAMEQTEKS-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.88
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]butan-2-amine

N-[(3,5-dichlorophenyl)methyl]butan-2-amine (PubChem CID 46736337) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]butan-2-amine
PubChem CID46736337
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC NameN-[(3,5-dichlorophenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2N/c1-3-8(2)14-7-9-4-10(12)6-11(13)5-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyOVWFKVAMEQTEKS-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,5-dichlorophenyl)methyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine
CID 104868163
N-[(3,5-dichlorophenyl)methyl]pentan-3-amine
CID 60788781
N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997
1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789791
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
(2S)-N-[(3-chloro-4,5-diethoxyphenyl)methyl]butan-2-amine
CID 40726533
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17292333
N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 114453134
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
(2S)-N-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993520
(2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine
CID 29223251

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]butan-2-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]butan-2-amine (CID 46736337) is N-[(3,5-dichlorophenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]butan-2-amine is CCC(C)NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]butan-2-amine?
The InChIKey is OVWFKVAMEQTEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-3-8(2)14-7-9-4-10(12)6-11(13)5-9/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]butan-2-amine?
N-[(3,5-dichlorophenyl)methyl]butan-2-amine has a molecular weight of 232.15 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]butan-2-amine is sourced from PubChem (CID 46736337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).