(2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol

C19H26N2O — CID 70143967

IUPAC(2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol
SMILESCc1ccc(CCNC(c2ccccc2)[C@H](O)[C@H](C)N)cc1
InChIInChI=1S/C19H26N2O/c1-14-8-10-16(11-9-14)12-13-21-18(19(22)15(2)20)17-6-4-3-5-7-17/h3-11,15,18-19,21-22H,12-13,20H2,1-2H3/t15-,18?,19+/m0/s1
InChIKeyIGUXQFLXAPUDPG-JMRRQPBMSA-N
MW298.43 g/mol
LogP2.58
Rot. Bonds7

About (2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol

(2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol (PubChem CID 70143967) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol
PubChem CID70143967
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol
SMILESCc1ccc(CCNC(c2ccccc2)[C@H](O)[C@H](C)N)cc1
InChIInChI=1S/C19H26N2O/c1-14-8-10-16(11-9-14)12-13-21-18(19(22)15(2)20)17-6-4-3-5-7-17/h3-11,15,18-19,21-22H,12-13,20H2,1-2H3/t15-,18?,19+/m0/s1
InChIKeyIGUXQFLXAPUDPG-JMRRQPBMSA-N
XLogP2.58
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 95511838
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
CID 82312289
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
[2-(4-aminophenyl)ethylamino]-phenylmethanol
CID 132520187
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol (CID 70143967) is (2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol is Cc1ccc(CCNC(c2ccccc2)[C@H](O)[C@H](C)N)cc1.
What is the InChIKey of (2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol?
The InChIKey is IGUXQFLXAPUDPG-JMRRQPBMSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14-8-10-16(11-9-14)12-13-21-18(19(22)15(2)20)17-6-4-3-5-7-17/h3-11,15,18-19,21-22H,12-13,20H2,1-2H3/t15-,18?,19+/m0/s1.
What are the key properties of (2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol?
(2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol has a molecular weight of 298.43 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1-[2-(4-methylphenyl)ethylamino]-1-phenylbutan-2-ol is sourced from PubChem (CID 70143967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).