4-amino-2-phenyl-1-phenylmethoxybutan-2-ol

C17H21NO2 — CID 11514582

IUPAC4-amino-2-phenyl-1-phenylmethoxybutan-2-ol
SMILESNCCC(O)(COCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO2/c18-12-11-17(19,16-9-5-2-6-10-16)14-20-13-15-7-3-1-4-8-15/h1-10,19H,11-14,18H2
InChIKeyYZFCZQOFFBKVMJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds7

About 4-amino-2-phenyl-1-phenylmethoxybutan-2-ol

4-amino-2-phenyl-1-phenylmethoxybutan-2-ol (PubChem CID 11514582) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-amino-2-phenyl-1-phenylmethoxybutan-2-ol.

Molecular Properties

Compound Name4-amino-2-phenyl-1-phenylmethoxybutan-2-ol
PubChem CID11514582
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-amino-2-phenyl-1-phenylmethoxybutan-2-ol
SMILESNCCC(O)(COCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO2/c18-12-11-17(19,16-9-5-2-6-10-16)14-20-13-15-7-3-1-4-8-15/h1-10,19H,11-14,18H2
InChIKeyYZFCZQOFFBKVMJ-UHFFFAOYSA-N
XLogP2.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[(4-bromophenyl)methoxy]-2-phenylbutan-2-ol
CID 11581094
(2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol
CID 11625637
4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol
CID 11565688
4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol
CID 11552038
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
1-amino-3-phenylpentan-3-ol
CID 79006155
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol
CID 165446723

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenyl-1-phenylmethoxybutan-2-ol?
The IUPAC name of 4-amino-2-phenyl-1-phenylmethoxybutan-2-ol (CID 11514582) is 4-amino-2-phenyl-1-phenylmethoxybutan-2-ol.
What is the SMILES notation for 4-amino-2-phenyl-1-phenylmethoxybutan-2-ol?
The canonical SMILES for 4-amino-2-phenyl-1-phenylmethoxybutan-2-ol is NCCC(O)(COCc1ccccc1)c1ccccc1.
What is the InChIKey of 4-amino-2-phenyl-1-phenylmethoxybutan-2-ol?
The InChIKey is YZFCZQOFFBKVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c18-12-11-17(19,16-9-5-2-6-10-16)14-20-13-15-7-3-1-4-8-15/h1-10,19H,11-14,18H2.
What are the key properties of 4-amino-2-phenyl-1-phenylmethoxybutan-2-ol?
4-amino-2-phenyl-1-phenylmethoxybutan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenyl-1-phenylmethoxybutan-2-ol is sourced from PubChem (CID 11514582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).