2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol

C18H23NO — CID 70834223

IUPAC2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol
SMILESC[C@@H](NCc1ccccc1C(C)(C)O)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(15-9-5-4-6-10-15)19-13-16-11-7-8-12-17(16)18(2,3)20/h4-12,14,19-20H,13H2,1-3H3/t14-/m1/s1
InChIKeyQJGVVOXDDNRSSZ-CQSZACIVSA-N
MW269.39 g/mol
LogP3.76
Rot. Bonds5

About 2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol

2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol (PubChem CID 70834223) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol
PubChem CID70834223
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol
SMILESC[C@@H](NCc1ccccc1C(C)(C)O)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(15-9-5-4-6-10-15)19-13-16-11-7-8-12-17(16)18(2,3)20/h4-12,14,19-20H,13H2,1-3H3/t14-/m1/s1
InChIKeyQJGVVOXDDNRSSZ-CQSZACIVSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-phenylethylamino)methyl]phenol
CID 3669487
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
(1R)-1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 81348504
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60944396
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 10889092
2-[2-(bromomethyl)phenyl]propan-2-ol
CID 139754869
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
CID 43189900
methyl 2-[(1-phenylethylamino)methyl]benzoate
CID 43755919
methyl 2-[[[(1S)-1-phenylethyl]amino]methyl]benzoate
CID 81351010
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
tert-butyl N-[4-[(1-phenylethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255950

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol (CID 70834223) is 2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol is C[C@@H](NCc1ccccc1C(C)(C)O)c1ccccc1.
What is the InChIKey of 2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol?
The InChIKey is QJGVVOXDDNRSSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(15-9-5-4-6-10-15)19-13-16-11-7-8-12-17(16)18(2,3)20/h4-12,14,19-20H,13H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol?
2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol has a molecular weight of 269.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol is sourced from PubChem (CID 70834223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).