1-(4-chlorophenyl)-1-methoxypropan-2-amine

C10H14ClNO — CID 54594037

IUPAC1-(4-chlorophenyl)-1-methoxypropan-2-amine
SMILESCOC(c1ccc(Cl)cc1)C(C)N
InChIInChI=1S/C10H14ClNO/c1-7(12)10(13-2)8-3-5-9(11)6-4-8/h3-7,10H,12H2,1-2H3
InChIKeyUDYBNDPRKUCJKP-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.37
Rot. Bonds3

About 1-(4-chlorophenyl)-1-methoxypropan-2-amine

1-(4-chlorophenyl)-1-methoxypropan-2-amine (PubChem CID 54594037) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-methoxypropan-2-amine
PubChem CID54594037
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(4-chlorophenyl)-1-methoxypropan-2-amine
SMILESCOC(c1ccc(Cl)cc1)C(C)N
InChIInChI=1S/C10H14ClNO/c1-7(12)10(13-2)8-3-5-9(11)6-4-8/h3-7,10H,12H2,1-2H3
InChIKeyUDYBNDPRKUCJKP-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine
CID 55015060
1-(4-chlorophenyl)-1-cyclohexyloxypropan-2-amine
CID 55015439
1-(4-chlorophenyl)-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168655
1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656348
2-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668651
1-(4-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772626
1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724174
O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine
CID 126599884
3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119794046
1-chloro-4-(1-methoxy-2-nitroso-2-phenylethyl)benzene
CID 57271893
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-methoxypropan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-methoxypropan-2-amine (CID 54594037) is 1-(4-chlorophenyl)-1-methoxypropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-methoxypropan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-methoxypropan-2-amine is COC(c1ccc(Cl)cc1)C(C)N.
What is the InChIKey of 1-(4-chlorophenyl)-1-methoxypropan-2-amine?
The InChIKey is UDYBNDPRKUCJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7(12)10(13-2)8-3-5-9(11)6-4-8/h3-7,10H,12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-methoxypropan-2-amine?
1-(4-chlorophenyl)-1-methoxypropan-2-amine has a molecular weight of 199.68 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-methoxypropan-2-amine is sourced from PubChem (CID 54594037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).