1-chloro-N-methoxypropan-2-amine

C4H10ClNO — CID 55298441

IUPAC1-chloro-N-methoxypropan-2-amine
SMILESCONC(C)CCl
InChIInChI=1S/C4H10ClNO/c1-4(3-5)6-7-2/h4,6H,3H2,1-2H3
InChIKeyRGGYKVHHSZENCC-UHFFFAOYSA-N
MW123.58 g/mol
LogP0.76
Rot. Bonds3

About 1-chloro-N-methoxypropan-2-amine

1-chloro-N-methoxypropan-2-amine (PubChem CID 55298441) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is 1-chloro-N-methoxypropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-methoxypropan-2-amine
PubChem CID55298441
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Name1-chloro-N-methoxypropan-2-amine
SMILESCONC(C)CCl
InChIInChI=1S/C4H10ClNO/c1-4(3-5)6-7-2/h4,6H,3H2,1-2H3
InChIKeyRGGYKVHHSZENCC-UHFFFAOYSA-N
XLogP0.76
TPSA21.26 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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-propan-2-yloxypropan-2-amine
CID 130737609
(2S)-1-chloro-N-methylpropan-2-amine;hydrochloride
CID 13134796
N,1,1-trimethoxypropan-2-amine
CID 82706992
(2S)-1-cyclohexyl-N-methoxypropan-2-amine
CID 54506563
N-methoxy-4-(2,4,6-trichlorophenyl)butan-2-amine
CID 58443691
1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 65025563
1-chloro-2-methylpropane;N-methylmethanamine
CID 175109198
1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 65025454
1-chloro-2-methylpropane;dimethyl propanedioate
CID 174722202
N-(1-chloropropan-2-yl)-2-ethoxyethanesulfonamide
CID 65031065
1-chloro-2-methoxy-3-methylbutane
CID 55301304
N-(1-chloropropan-2-yl)-2-methylbutan-1-amine
CID 65025334

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methoxypropan-2-amine?
The IUPAC name of 1-chloro-N-methoxypropan-2-amine (CID 55298441) is 1-chloro-N-methoxypropan-2-amine.
What is the SMILES notation for 1-chloro-N-methoxypropan-2-amine?
The canonical SMILES for 1-chloro-N-methoxypropan-2-amine is CONC(C)CCl.
What is the InChIKey of 1-chloro-N-methoxypropan-2-amine?
The InChIKey is RGGYKVHHSZENCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO/c1-4(3-5)6-7-2/h4,6H,3H2,1-2H3.
What are the key properties of 1-chloro-N-methoxypropan-2-amine?
1-chloro-N-methoxypropan-2-amine has a molecular weight of 123.58 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methoxypropan-2-amine is sourced from PubChem (CID 55298441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).