(2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol

C27H27NOS — CID 10409506

IUPAC(2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol
SMILESC[C@H](c1cccs1)N(C(c1ccccc1)c1ccccc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C27H27NOS/c1-21(26-18-11-19-30-26)28(25(20-29)22-12-5-2-6-13-22)27(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-19,21,25,27,29H,20H2,1H3/t21-,25+/m1/s1
InChIKeyKYMHVPIAYOIMGJ-BWKNWUBXSA-N
MW413.59 g/mol
LogP6.63
Rot. Bonds8

About (2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol

(2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol (PubChem CID 10409506) has the molecular formula C27H27NOS and a molecular weight of 413.59 g/mol. Its IUPAC name is (2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol
PubChem CID10409506
Molecular FormulaC27H27NOS
Molecular Weight413.59 g/mol
Exact Mass413.18
IUPAC Name(2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol
SMILESC[C@H](c1cccs1)N(C(c1ccccc1)c1ccccc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C27H27NOS/c1-21(26-18-11-19-30-26)28(25(20-29)22-12-5-2-6-13-22)27(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-19,21,25,27,29H,20H2,1H3/t21-,25+/m1/s1
InChIKeyKYMHVPIAYOIMGJ-BWKNWUBXSA-N
XLogP6.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.59
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropanoic acid
CID 63068841
N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62430658
(2R)-2-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylethanol
CID 14738807
(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696
3-[methyl(1-thiophen-2-ylethyl)amino]-2-phenylpropanoic acid
CID 63068999
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
(2R)-2-[amino(methyl)amino]-2-phenylethanol
CID 11693961
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51730175

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol (CID 10409506) is (2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol is C[C@H](c1cccs1)N(C(c1ccccc1)c1ccccc1)[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol?
The InChIKey is KYMHVPIAYOIMGJ-BWKNWUBXSA-N. The full InChI is InChI=1S/C27H27NOS/c1-21(26-18-11-19-30-26)28(25(20-29)22-12-5-2-6-13-22)27(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-19,21,25,27,29H,20H2,1H3/t21-,25+/m1/s1.
What are the key properties of (2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol?
(2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol has a molecular weight of 413.59 g/mol, XLogP of 6.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol is sourced from PubChem (CID 10409506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).