2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

C17H28ClN — CID 83138262

IUPAC2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(Cc1cccc(Cl)c1)C(C)(C)C
InChIInChI=1S/C17H28ClN/c1-13(2)11-19-12-15(17(3,4)5)9-14-7-6-8-16(18)10-14/h6-8,10,13,15,19H,9,11-12H2,1-5H3
InChIKeyZLSFNQKZZFZYHR-UHFFFAOYSA-N
MW281.87 g/mol
LogP4.79
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 83138262) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID83138262
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(Cc1cccc(Cl)c1)C(C)(C)C
InChIInChI=1S/C17H28ClN/c1-13(2)11-19-12-15(17(3,4)5)9-14-7-6-8-16(18)10-14/h6-8,10,13,15,19H,9,11-12H2,1-5H3
InChIKeyZLSFNQKZZFZYHR-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.87
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138561
2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63522996
2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine
CID 103984352
N-tert-butyl-4-(3-chlorophenyl)-2,3-dimethylbutan-1-amine
CID 81015548
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
2-tert-butyl-N-(2-methylpropyl)-5-phenylpentan-1-amine
CID 83139154
4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81015822
3-N-[(3-chlorophenyl)methyl]-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81012842
N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
2-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979377
N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
CID 43694863

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 83138262) is 2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(Cc1cccc(Cl)c1)C(C)(C)C.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is ZLSFNQKZZFZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-13(2)11-19-12-15(17(3,4)5)9-14-7-6-8-16(18)10-14/h6-8,10,13,15,19H,9,11-12H2,1-5H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 83138262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).