(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol

C15H25NO — CID 103959740

IUPAC(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
SMILESCCCN(c1ccccc1[C@@H](O)CC)C(C)C
InChIInChI=1S/C15H25NO/c1-5-11-16(12(3)4)14-10-8-7-9-13(14)15(17)6-2/h7-10,12,15,17H,5-6,11H2,1-4H3/t15-/m0/s1
InChIKeyJMSSRVUSYQOFQA-HNNXBMFYSA-N
MW235.37 g/mol
LogP3.75
Rot. Bonds6

About (1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol

(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol (PubChem CID 103959740) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
PubChem CID103959740
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
SMILESCCCN(c1ccccc1[C@@H](O)CC)C(C)C
InChIInChI=1S/C15H25NO/c1-5-11-16(12(3)4)14-10-8-7-9-13(14)15(17)6-2/h7-10,12,15,17H,5-6,11H2,1-4H3/t15-/m0/s1
InChIKeyJMSSRVUSYQOFQA-HNNXBMFYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 103960325
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689
2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide
CID 113358980
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 78939531
(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
CID 103959999
1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
CID 112678854
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol
CID 43510195
2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline
CID 103958727

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol (CID 103959740) is (1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol is CCCN(c1ccccc1[C@@H](O)CC)C(C)C.
What is the InChIKey of (1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol?
The InChIKey is JMSSRVUSYQOFQA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-11-16(12(3)4)14-10-8-7-9-13(14)15(17)6-2/h7-10,12,15,17H,5-6,11H2,1-4H3/t15-/m0/s1.
What are the key properties of (1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol?
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 103959740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).