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

C14H22ClN — CID 83142139

IUPACN-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCc1cccc(Cl)c1)C(C)(C)C
InChIInChI=1S/C14H22ClN/c1-11(14(2,3)4)9-16-10-12-6-5-7-13(15)8-12/h5-8,11,16H,9-10H2,1-4H3
InChIKeyOGQINDUDUPQKLM-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.11
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine (PubChem CID 83142139) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
PubChem CID83142139
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCc1cccc(Cl)c1)C(C)(C)C
InChIInChI=1S/C14H22ClN/c1-11(14(2,3)4)9-16-10-12-6-5-7-13(15)8-12/h5-8,11,16H,9-10H2,1-4H3
InChIKeyOGQINDUDUPQKLM-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-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

N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853
N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide
CID 83144415
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
N-[(3-bromo-4-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83230110
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
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]-2-methoxy-2-methylpropan-1-amine
CID 115656052
N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859
(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 94611679
2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138262

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine (CID 83142139) is N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine is CC(CNCc1cccc(Cl)c1)C(C)(C)C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine?
The InChIKey is OGQINDUDUPQKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-11(14(2,3)4)9-16-10-12-6-5-7-13(15)8-12/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine?
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83142139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).