(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol

C13H20ClNO — CID 124511733

IUPAC(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-9(2)13(8-16)15-10(3)11-4-6-12(14)7-5-11/h4-7,9-10,13,15-16H,8H2,1-3H3/t10-,13+/m1/s1
InChIKeyYLQWYNQNQQLOSM-MFKMUULPSA-N
MW241.76 g/mol
LogP3.01
Rot. Bonds5

About (2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol

(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol (PubChem CID 124511733) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
PubChem CID124511733
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-9(2)13(8-16)15-10(3)11-4-6-12(14)7-5-11/h4-7,9-10,13,15-16H,8H2,1-3H3/t10-,13+/m1/s1
InChIKeyYLQWYNQNQQLOSM-MFKMUULPSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride
CID 122360330
3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
CID 79254457
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422
3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 79253731
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
3-methyl-2-[1-(4-phenylphenyl)ethylamino]butan-1-ol
CID 79236662
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43111783
2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 79254848
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-2-ol
CID 81352452
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol (CID 124511733) is (2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol is CC(C)[C@H](CO)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol?
The InChIKey is YLQWYNQNQQLOSM-MFKMUULPSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-9(2)13(8-16)15-10(3)11-4-6-12(14)7-5-11/h4-7,9-10,13,15-16H,8H2,1-3H3/t10-,13+/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol?
(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol has a molecular weight of 241.76 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 124511733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).