4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol

C19H24ClNO — CID 69403889

IUPAC4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol
SMILESCCN(Cc1ccccc1)C(CCCO)c1cccc(Cl)c1
InChIInChI=1S/C19H24ClNO/c1-2-21(15-16-8-4-3-5-9-16)19(12-7-13-22)17-10-6-11-18(20)14-17/h3-6,8-11,14,19,22H,2,7,12-13,15H2,1H3
InChIKeyADEYYAIRDNYAHL-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.68
Rot. Bonds8

About 4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol

4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol (PubChem CID 69403889) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol
PubChem CID69403889
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol
SMILESCCN(Cc1ccccc1)C(CCCO)c1cccc(Cl)c1
InChIInChI=1S/C19H24ClNO/c1-2-21(15-16-8-4-3-5-9-16)19(12-7-13-22)17-10-6-11-18(20)14-17/h3-6,8-11,14,19,22H,2,7,12-13,15H2,1H3
InChIKeyADEYYAIRDNYAHL-UHFFFAOYSA-N
XLogP4.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine
CID 106511328
3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 14596217
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055
N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991476
2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide
CID 13268024
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol?
The IUPAC name of 4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol (CID 69403889) is 4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol?
The canonical SMILES for 4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol is CCN(Cc1ccccc1)C(CCCO)c1cccc(Cl)c1.
What is the InChIKey of 4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol?
The InChIKey is ADEYYAIRDNYAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-2-21(15-16-8-4-3-5-9-16)19(12-7-13-22)17-10-6-11-18(20)14-17/h3-6,8-11,14,19,22H,2,7,12-13,15H2,1H3.
What are the key properties of 4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol?
4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol has a molecular weight of 317.86 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol is sourced from PubChem (CID 69403889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).