(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol

C14H22ClNO — CID 113352309

IUPAC(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol
SMILESCCCC(N[C@H](CC)CO)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-5-14(16-13(4-2)10-17)11-6-8-12(15)9-7-11/h6-9,13-14,16-17H,3-5,10H2,1-2H3/t13-,14?/m1/s1
InChIKeySAFHJQDYFKQZOT-KWCCSABGSA-N
MW255.79 g/mol
LogP3.54
Rot. Bonds7

About (2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol

(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol (PubChem CID 113352309) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol
PubChem CID113352309
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol
SMILESCCCC(N[C@H](CC)CO)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-5-14(16-13(4-2)10-17)11-6-8-12(15)9-7-11/h6-9,13-14,16-17H,3-5,10H2,1-2H3/t13-,14?/m1/s1
InChIKeySAFHJQDYFKQZOT-KWCCSABGSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol
CID 106348706
3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol
CID 65031721
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
2-[1-(4-chlorophenyl)butylamino]propanamide
CID 43545331
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
2,6-dichloro-N-[1-(4-chlorophenyl)butyl]aniline
CID 65467204
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol?
The IUPAC name of (2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol (CID 113352309) is (2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol is CCCC(N[C@H](CC)CO)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol?
The InChIKey is SAFHJQDYFKQZOT-KWCCSABGSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-5-14(16-13(4-2)10-17)11-6-8-12(15)9-7-11/h6-9,13-14,16-17H,3-5,10H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of (2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol?
(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol has a molecular weight of 255.79 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol is sourced from PubChem (CID 113352309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).