N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine

C13H20ClN — CID 64570853

IUPACN-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClN/c1-10(2)11(3)8-15-9-12-5-4-6-13(14)7-12/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyZENRPHZCQSULCQ-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.72
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine

N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 64570853) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID64570853
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClN/c1-10(2)11(3)8-15-9-12-5-4-6-13(14)7-12/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyZENRPHZCQSULCQ-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
CID 115598038
N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43100371
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859
4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81015822
N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570264
(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 94611679
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine (CID 64570853) is N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)CNCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is ZENRPHZCQSULCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-10(2)11(3)8-15-9-12-5-4-6-13(14)7-12/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine?
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 64570853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).