2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol

C19H25NO — CID 793123

IUPAC2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol
SMILESCC[C@@H](C)NCC[C@@H](c1ccccc1)c1ccccc1O
InChIInChI=1S/C19H25NO/c1-3-15(2)20-14-13-17(16-9-5-4-6-10-16)18-11-7-8-12-19(18)21/h4-12,15,17,20-21H,3,13-14H2,1-2H3/t15-,17+/m1/s1
InChIKeyNXFXNYPXVRTRID-WBVHZDCISA-N
MW283.42 g/mol
LogP4.30
Rot. Bonds7

About 2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol

2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol (PubChem CID 793123) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol.

Molecular Properties

Compound Name2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol
PubChem CID793123
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol
SMILESCC[C@@H](C)NCC[C@@H](c1ccccc1)c1ccccc1O
InChIInChI=1S/C19H25NO/c1-3-15(2)20-14-13-17(16-9-5-4-6-10-16)18-11-7-8-12-19(18)21/h4-12,15,17,20-21H,3,13-14H2,1-2H3/t15-,17+/m1/s1
InChIKeyNXFXNYPXVRTRID-WBVHZDCISA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol
CID 793127
2-(1-phenylpentyl)phenol
CID 19601156
4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride
CID 6366655
2-(1-phenylnonyl)phenol
CID 67177643
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801
2-[3-(2-hydroxyphenyl)-1,3-diphenylpropyl]phenol
CID 151789465
3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
2-[1-(4-tert-butylphenyl)propyl]phenol
CID 174617278
2-(3-morpholin-4-yl-1-phenylpropyl)phenol
CID 567625
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol?
The IUPAC name of 2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol (CID 793123) is 2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol.
What is the SMILES notation for 2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol?
The canonical SMILES for 2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol is CC[C@@H](C)NCC[C@@H](c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol?
The InChIKey is NXFXNYPXVRTRID-WBVHZDCISA-N. The full InChI is InChI=1S/C19H25NO/c1-3-15(2)20-14-13-17(16-9-5-4-6-10-16)18-11-7-8-12-19(18)21/h4-12,15,17,20-21H,3,13-14H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of 2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol?
2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol is sourced from PubChem (CID 793123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).