4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol

C12H18ClNO — CID 69402715

IUPAC4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
SMILESCCNC(CCCO)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-2-14-12(7-4-8-15)10-5-3-6-11(13)9-10/h3,5-6,9,12,14-15H,2,4,7-8H2,1H3
InChIKeyHZSHRJVQRQCTDO-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.76
Rot. Bonds6

About 4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol

4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol (PubChem CID 69402715) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
PubChem CID69402715
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
SMILESCCNC(CCCO)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-2-14-12(7-4-8-15)10-5-3-6-11(13)9-10/h3,5-6,9,12,14-15H,2,4,7-8H2,1H3
InChIKeyHZSHRJVQRQCTDO-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
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3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
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1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol?
The IUPAC name of 4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol (CID 69402715) is 4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol?
The canonical SMILES for 4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol is CCNC(CCCO)c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol?
The InChIKey is HZSHRJVQRQCTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-2-14-12(7-4-8-15)10-5-3-6-11(13)9-10/h3,5-6,9,12,14-15H,2,4,7-8H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol?
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol has a molecular weight of 227.73 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol is sourced from PubChem (CID 69402715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).