1-(4-chlorophenyl)-2-(methylamino)propan-1-ol

C10H14ClNO — CID 58497080

IUPAC1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
SMILESCNC(C)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,10,12-13H,1-2H3
InChIKeyVAYIZVYVVJUGGR-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.98
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(methylamino)propan-1-ol

1-(4-chlorophenyl)-2-(methylamino)propan-1-ol (PubChem CID 58497080) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
PubChem CID58497080
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
SMILESCNC(C)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,10,12-13H,1-2H3
InChIKeyVAYIZVYVVJUGGR-UHFFFAOYSA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride
CID 175665348
2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
CID 82312960
1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol
CID 111478453
4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]benzene-1,2-diol
CID 11106302
2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
CID 73115423
(1S,2R)-1-(4-chlorophenyl)-2-methylpropane-1,3-diol
CID 122579159

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(methylamino)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-(methylamino)propan-1-ol (CID 58497080) is 1-(4-chlorophenyl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(methylamino)propan-1-ol is CNC(C)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(methylamino)propan-1-ol?
The InChIKey is VAYIZVYVVJUGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,10,12-13H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(methylamino)propan-1-ol?
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol has a molecular weight of 199.68 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 58497080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).