3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine

C15H24ClN — CID 115215720

IUPAC3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
SMILESCc1cc(C)c(C)c(CN(C)CCCCl)c1C
InChIInChI=1S/C15H24ClN/c1-11-9-12(2)14(4)15(13(11)3)10-17(5)8-6-7-16/h9H,6-8,10H2,1-5H3
InChIKeyNSFISXFXEUCMIP-UHFFFAOYSA-N
MW253.82 g/mol
LogP3.98
Rot. Bonds5

About 3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine

3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine (PubChem CID 115215720) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
PubChem CID115215720
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
SMILESCc1cc(C)c(C)c(CN(C)CCCCl)c1C
InChIInChI=1S/C15H24ClN/c1-11-9-12(2)14(4)15(13(11)3)10-17(5)8-6-7-16/h9H,6-8,10H2,1-5H3
InChIKeyNSFISXFXEUCMIP-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 53.98
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

N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
CID 115197901
3-(2-chloroethyl)-1,2,4,5-tetramethylbenzene
CID 53403936
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215694
N-methyl-N-[(2,3,4,6-tetramethylphenyl)methyl]propan-1-amine
CID 143873938
2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol
CID 115137003
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214949
3-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215695
2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid
CID 115219486
(E)-4-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]but-2-enoic acid
CID 115237198
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine
CID 115215688

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine (CID 115215720) is 3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine is Cc1cc(C)c(C)c(CN(C)CCCCl)c1C.
What is the InChIKey of 3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine?
The InChIKey is NSFISXFXEUCMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-11-9-12(2)14(4)15(13(11)3)10-17(5)8-6-7-16/h9H,6-8,10H2,1-5H3.
What are the key properties of 3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine?
3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115215720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).