(1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol

C19H25NO — CID 103960207

IUPAC(1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol
SMILESCCCCN(c1ccccc1)c1ccccc1[C@@H](O)CC
InChIInChI=1S/C19H25NO/c1-3-5-15-20(16-11-7-6-8-12-16)18-14-10-9-13-17(18)19(21)4-2/h6-14,19,21H,3-5,15H2,1-2H3/t19-/m0/s1
InChIKeyFOWOKGRSPMGVQZ-IBGZPJMESA-N
MW283.42 g/mol
LogP5.07
Rot. Bonds7

About (1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol

(1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol (PubChem CID 103960207) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol
PubChem CID103960207
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol
SMILESCCCCN(c1ccccc1)c1ccccc1[C@@H](O)CC
InChIInChI=1S/C19H25NO/c1-3-5-15-20(16-11-7-6-8-12-16)18-14-10-9-13-17(18)19(21)4-2/h6-14,19,21H,3-5,15H2,1-2H3/t19-/m0/s1
InChIKeyFOWOKGRSPMGVQZ-IBGZPJMESA-N
XLogP5.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
2-(N-butylanilino)benzoic acid
CID 64586364
1,4-bis(N-butylanilino)anthracene-9,10-dione
CID 71392978
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
2-(N-butylanilino)benzaldehyde
CID 64585010
1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
CID 112678854
(1S)-1-(2-butylsulfanylphenyl)propan-1-ol
CID 103960769
1-[2-(N-butylanilino)-6-fluorophenyl]ethanone
CID 64584809
butane;N-octyl-N-phenylaniline
CID 175431375

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol (CID 103960207) is (1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol is CCCCN(c1ccccc1)c1ccccc1[C@@H](O)CC.
What is the InChIKey of (1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol?
The InChIKey is FOWOKGRSPMGVQZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25NO/c1-3-5-15-20(16-11-7-6-8-12-16)18-14-10-9-13-17(18)19(21)4-2/h6-14,19,21H,3-5,15H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol?
(1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol is sourced from PubChem (CID 103960207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).