3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine

C15H24ClN — CID 116907540

IUPAC3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
SMILESCC(C)Cc1ccc(C(CCCl)N(C)C)cc1
InChIInChI=1S/C15H24ClN/c1-12(2)11-13-5-7-14(8-6-13)15(9-10-16)17(3)4/h5-8,12,15H,9-11H2,1-4H3
InChIKeyXXIXLIVGUDBGPI-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.12
Rot. Bonds6

About 3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine

3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine (PubChem CID 116907540) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
PubChem CID116907540
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
SMILESCC(C)Cc1ccc(C(CCCl)N(C)C)cc1
InChIInChI=1S/C15H24ClN/c1-12(2)11-13-5-7-14(8-6-13)15(9-10-16)17(3)4/h5-8,12,15H,9-11H2,1-4H3
InChIKeyXXIXLIVGUDBGPI-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 95443981
1-(4-butan-2-ylphenyl)-3-chloro-N,N-dimethylpropan-1-amine
CID 116907542
1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine
CID 116907526
1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine
CID 116904791
(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
CID 141341786
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
2-chloro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115214797
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
1-(1-chloropropyl)-4-(2-methylpropyl)benzene
CID 11745911
1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene
CID 63430577
N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine
CID 115263477
4-[[2-(dimethylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]carbamoylamino]butanoic acid
CID 122014426

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine?
The IUPAC name of 3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine (CID 116907540) is 3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine?
The canonical SMILES for 3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine is CC(C)Cc1ccc(C(CCCl)N(C)C)cc1.
What is the InChIKey of 3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine?
The InChIKey is XXIXLIVGUDBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-12(2)11-13-5-7-14(8-6-13)15(9-10-16)17(3)4/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of 3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine?
3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine is sourced from PubChem (CID 116907540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).