4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol

C13H20ClNO2 — CID 103906081

IUPAC4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC(C)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-10(12-5-3-4-6-13(12)14)15-8-7-11(16)9-17-2/h3-6,10-11,15-16H,7-9H2,1-2H3
InChIKeyQYOFBMCKZMVWQU-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.39
Rot. Bonds7

About 4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol

4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol (PubChem CID 103906081) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
PubChem CID103906081
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC(C)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-10(12-5-3-4-6-13(12)14)15-8-7-11(16)9-17-2/h3-6,10-11,15-16H,7-9H2,1-2H3
InChIKeyQYOFBMCKZMVWQU-UHFFFAOYSA-N
XLogP2.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[1-(2-nitrophenyl)ethylamino]butan-2-ol
CID 103906001
(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 81379566
1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 103784583
N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine
CID 81378294
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81377419
1-methoxy-4-[[(2-methylphenyl)-phenylmethyl]amino]butan-2-ol
CID 110011394
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
(1R)-1-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 81374457
methyl 4-[1-(2-chlorophenyl)ethylamino]butanoate
CID 60694137
1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 136583336
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906007
methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane
CID 159889089

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol (CID 103906081) is 4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol is COCC(O)CCNC(C)c1ccccc1Cl.
What is the InChIKey of 4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol?
The InChIKey is QYOFBMCKZMVWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(12-5-3-4-6-13(12)14)15-8-7-11(16)9-17-2/h3-6,10-11,15-16H,7-9H2,1-2H3.
What are the key properties of 4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol?
4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol is sourced from PubChem (CID 103906081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).