3-chloro-2-methylpropan-1-amine

C4H10ClN — CID 19773517

IUPAC3-chloro-2-methylpropan-1-amine
SMILESCC(CN)CCl
InChIInChI=1S/C4H10ClN/c1-4(2-5)3-6/h4H,2-3,6H2,1H3
InChIKeyIHYMTVGUOZKLFK-UHFFFAOYSA-N
MW107.58 g/mol
LogP0.82
Rot. Bonds2

About 3-chloro-2-methylpropan-1-amine

3-chloro-2-methylpropan-1-amine (PubChem CID 19773517) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is 3-chloro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-2-methylpropan-1-amine
PubChem CID19773517
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Name3-chloro-2-methylpropan-1-amine
SMILESCC(CN)CCl
InChIInChI=1S/C4H10ClN/c1-4(2-5)3-6/h4H,2-3,6H2,1H3
InChIKeyIHYMTVGUOZKLFK-UHFFFAOYSA-N
XLogP0.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 50.82
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

3-Chloro-2-methylpropan-1-amine hydrochloride
CID 86126331
3-Chloro-2,2-dimethylpropan-1-amine hydrochloride
CID 88707160
4-Chloro-3-methylbutan-1-amine hydrochloride
CID 165890811
1-Chloropropyl amine hydrochloride
CID 20205730
1-Amino-2-chlorobutane hydrochloride
CID 20403571
1-Chloro-2-methylpropan-1-amine
CID 57282318
(s)-1-Chloropropylamine hydrochloride
CID 137374710
2-(Chloromethyl)-3-fluoropropan-1-amine
CID 146293883
3-Chloro-2,2-dimethylpropan-1-amine
CID 55207820
4-Chloro-3-methylbutan-1-amine
CID 55291220
3-Chlorobutan-2-amine
CID 416883
1-Chloro-3-methylbutan-2-amine
CID 18315988

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylpropan-1-amine?
The IUPAC name of 3-chloro-2-methylpropan-1-amine (CID 19773517) is 3-chloro-2-methylpropan-1-amine.
What is the SMILES notation for 3-chloro-2-methylpropan-1-amine?
The canonical SMILES for 3-chloro-2-methylpropan-1-amine is CC(CN)CCl.
What is the InChIKey of 3-chloro-2-methylpropan-1-amine?
The InChIKey is IHYMTVGUOZKLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN/c1-4(2-5)3-6/h4H,2-3,6H2,1H3.
What are the key properties of 3-chloro-2-methylpropan-1-amine?
3-chloro-2-methylpropan-1-amine has a molecular weight of 107.58 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methylpropan-1-amine is sourced from PubChem (CID 19773517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).