1-chloro-3-methoxypropan-2-amine

C4H10ClNO — CID 106180958

IUPAC1-chloro-3-methoxypropan-2-amine
SMILESCOCC(N)CCl
InChIInChI=1S/C4H10ClNO/c1-7-3-4(6)2-5/h4H,2-3,6H2,1H3
InChIKeyACHSYIIYCRRVRJ-UHFFFAOYSA-N
MW123.58 g/mol
LogP0.20
Rot. Bonds3

About 1-chloro-3-methoxypropan-2-amine

1-chloro-3-methoxypropan-2-amine (PubChem CID 106180958) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is 1-chloro-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-chloro-3-methoxypropan-2-amine
PubChem CID106180958
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Name1-chloro-3-methoxypropan-2-amine
SMILESCOCC(N)CCl
InChIInChI=1S/C4H10ClNO/c1-7-3-4(6)2-5/h4H,2-3,6H2,1H3
InChIKeyACHSYIIYCRRVRJ-UHFFFAOYSA-N
XLogP0.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxypropan-2-amine hydrochloride
CID 21461379
(2R)-1-methoxypropan-2-amine hydrochloride
CID 53350298
(2S)-1-methoxypropan-2-amine hydrochloride
CID 54596079
1-Chloro-3-methoxypropan-1-amine
CID 54217045
1-Chloro-1-methoxypropan-2-amine
CID 54292991
3-Chloro-2-methoxypropan-1-amine
CID 123147054
(2R)-1-(3-chloropropoxy)propan-2-amine
CID 132179122
2-(3-Chloropropoxy)ethan-1-amine hydrochloride
CID 137943673
2-(3-Chloropropoxy)ethan-1-amine
CID 137943674
2-Chloro-2-methoxyethanamine
CID 152039786
3-Chloro-3-methoxypropan-1-amine
CID 154401504
2-(1-Chloroethoxy)ethanamine
CID 170396334

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methoxypropan-2-amine?
The IUPAC name of 1-chloro-3-methoxypropan-2-amine (CID 106180958) is 1-chloro-3-methoxypropan-2-amine.
What is the SMILES notation for 1-chloro-3-methoxypropan-2-amine?
The canonical SMILES for 1-chloro-3-methoxypropan-2-amine is COCC(N)CCl.
What is the InChIKey of 1-chloro-3-methoxypropan-2-amine?
The InChIKey is ACHSYIIYCRRVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO/c1-7-3-4(6)2-5/h4H,2-3,6H2,1H3.
What are the key properties of 1-chloro-3-methoxypropan-2-amine?
1-chloro-3-methoxypropan-2-amine has a molecular weight of 123.58 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methoxypropan-2-amine is sourced from PubChem (CID 106180958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).