1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine

C10H12Cl3N — CID 65025739

IUPAC1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine
SMILESCC(CCl)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl3N/c1-7(5-11)14-6-8-9(12)3-2-4-10(8)13/h2-4,7,14H,5-6H2,1H3
InChIKeyZHYZTCYDIMVKBN-UHFFFAOYSA-N
MW252.57 g/mol
LogP3.71
Rot. Bonds4

About 1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine

1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine (PubChem CID 65025739) has the molecular formula C10H12Cl3N and a molecular weight of 252.57 g/mol. Its IUPAC name is 1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine
PubChem CID65025739
Molecular FormulaC10H12Cl3N
Molecular Weight252.57 g/mol
Exact Mass251.00
IUPAC Name1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine
SMILESCC(CCl)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H12Cl3N/c1-7(5-11)14-6-8-9(12)3-2-4-10(8)13/h2-4,7,14H,5-6H2,1H3
InChIKeyZHYZTCYDIMVKBN-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963
2-[(2-chloro-6-fluorophenyl)methylamino]propane-1-thiol
CID 130205125
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
CID 961193
3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 65037486
3-chloro-2-[[[(2S)-1-methoxypropan-2-yl]amino]methyl]phenol
CID 96951594
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine
CID 112654379
3-chloro-2-[(1-ethoxypropan-2-ylamino)methyl]phenol
CID 78960257
3-chloro-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 75361231

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine (CID 65025739) is 1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine is CC(CCl)NCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine?
The InChIKey is ZHYZTCYDIMVKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3N/c1-7(5-11)14-6-8-9(12)3-2-4-10(8)13/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine?
1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine has a molecular weight of 252.57 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 65025739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).