1,3-dichloro-N-ethylpropan-2-amine

C5H11Cl2N — CID 169225125

IUPAC1,3-dichloro-N-ethylpropan-2-amine
SMILESCCNC(CCl)CCl
InChIInChI=1S/C5H11Cl2N/c1-2-8-5(3-6)4-7/h5,8H,2-4H2,1H3
InChIKeyRNVDHDWRUQMPOP-UHFFFAOYSA-N
MW156.06 g/mol
LogP1.44
Rot. Bonds4

About 1,3-dichloro-N-ethylpropan-2-amine

1,3-dichloro-N-ethylpropan-2-amine (PubChem CID 169225125) has the molecular formula C5H11Cl2N and a molecular weight of 156.06 g/mol. Its IUPAC name is 1,3-dichloro-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1,3-dichloro-N-ethylpropan-2-amine
PubChem CID169225125
Molecular FormulaC5H11Cl2N
Molecular Weight156.06 g/mol
Exact Mass155.03
IUPAC Name1,3-dichloro-N-ethylpropan-2-amine
SMILESCCNC(CCl)CCl
InChIInChI=1S/C5H11Cl2N/c1-2-8-5(3-6)4-7/h5,8H,2-4H2,1H3
InChIKeyRNVDHDWRUQMPOP-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 51.44
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

2,3-dichloro-N-ethyl-1-silylpropan-1-amine
CID 173059356
CID 59853765
CID 59853765
N-ethyl-2,8-dimethylnonan-5-amine
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2-N,4-N-diethylhexane-1,2,4,6-tetramine
CID 174662598
N-ethyldecan-5-amine
CID 79405026
N-ethyltetradecan-7-amine
CID 87847195
N-(1-chlorobutan-2-yl)decan-1-amine
CID 65026505
2-(ethylamino)-3-methylsulfanylpropan-1-ol
CID 64806015
N-ethyl-1,1,1-trifluoropentan-3-amine
CID 55149830
N-ethylhex-5-yn-3-amine
CID 62233887
N-ethylhexadecan-4-amine
CID 63413885
N,7-diethylnonan-3-amine
CID 82925508

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-N-ethylpropan-2-amine?
The IUPAC name of 1,3-dichloro-N-ethylpropan-2-amine (CID 169225125) is 1,3-dichloro-N-ethylpropan-2-amine.
What is the SMILES notation for 1,3-dichloro-N-ethylpropan-2-amine?
The canonical SMILES for 1,3-dichloro-N-ethylpropan-2-amine is CCNC(CCl)CCl.
What is the InChIKey of 1,3-dichloro-N-ethylpropan-2-amine?
The InChIKey is RNVDHDWRUQMPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N/c1-2-8-5(3-6)4-7/h5,8H,2-4H2,1H3.
What are the key properties of 1,3-dichloro-N-ethylpropan-2-amine?
1,3-dichloro-N-ethylpropan-2-amine has a molecular weight of 156.06 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-N-ethylpropan-2-amine is sourced from PubChem (CID 169225125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).