(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol

C15H25NO2 — CID 113358988

IUPAC(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(CCCO)C(C)C
InChIInChI=1S/C15H25NO2/c1-4-15(18)13-8-5-6-9-14(13)16(12(2)3)10-7-11-17/h5-6,8-9,12,15,17-18H,4,7,10-11H2,1-3H3/t15-/m1/s1
InChIKeyFTFFNJDUYKHMAL-OAHLLOKOSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds7

About (1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol

(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol (PubChem CID 113358988) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
PubChem CID113358988
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(CCCO)C(C)C
InChIInChI=1S/C15H25NO2/c1-4-15(18)13-8-5-6-9-14(13)16(12(2)3)10-7-11-17/h5-6,8-9,12,15,17-18H,4,7,10-11H2,1-3H3/t15-/m1/s1
InChIKeyFTFFNJDUYKHMAL-OAHLLOKOSA-N
XLogP2.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
3-[2-[(1S)-1-aminoethyl]-N-propan-2-ylanilino]propan-1-ol
CID 78935229
(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 103960325
1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one
CID 112677377
2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide
CID 113358980
1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
CID 102864135
2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol
CID 78935304
(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 78939531
2-[3-hydroxypropyl(propan-2-yl)amino]benzonitrile
CID 61147832
(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
CID 103959999
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689
1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
CID 112678854

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol (CID 113358988) is (1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N(CCCO)C(C)C.
What is the InChIKey of (1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol?
The InChIKey is FTFFNJDUYKHMAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-15(18)13-8-5-6-9-14(13)16(12(2)3)10-7-11-17/h5-6,8-9,12,15,17-18H,4,7,10-11H2,1-3H3/t15-/m1/s1.
What are the key properties of (1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol?
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 113358988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).