1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol

C17H20Cl2N2O — CID 138037493

IUPAC1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol
SMILESCC(C)C(NCc1ncccc1Cl)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20Cl2N2O/c1-11(2)16(17(22)12-5-7-13(18)8-6-12)21-10-15-14(19)4-3-9-20-15/h3-9,11,16-17,21-22H,10H2,1-2H3
InChIKeyQIEWCORJUPEDJB-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.24
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol

1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol (PubChem CID 138037493) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol
PubChem CID138037493
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC Name1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol
SMILESCC(C)C(NCc1ncccc1Cl)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20Cl2N2O/c1-11(2)16(17(22)12-5-7-13(18)8-6-12)21-10-15-14(19)4-3-9-20-15/h3-9,11,16-17,21-22H,10H2,1-2H3
InChIKeyQIEWCORJUPEDJB-UHFFFAOYSA-N
XLogP4.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82732749
(1S)-1-(4-chlorophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81354039
1-(3-chloro-2-pyridinyl)propan-2-ol;hydrochloride
CID 174430091
1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine
CID 103910707
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81406911
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344
1-(3-chloro-2-pyridinyl)pentan-2-ol
CID 63201642
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
CID 82312960
2-[(3-chloro-2-pyridinyl)methylamino]ethanethiol
CID 54181073

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol (CID 138037493) is 1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol is CC(C)C(NCc1ncccc1Cl)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol?
The InChIKey is QIEWCORJUPEDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O/c1-11(2)16(17(22)12-5-7-13(18)8-6-12)21-10-15-14(19)4-3-9-20-15/h3-9,11,16-17,21-22H,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol?
1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol has a molecular weight of 339.27 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(3-chloro-2-pyridinyl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 138037493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).