3-amino-2-benzyl-3-phenylpropan-1-ol

C16H19NO — CID 66351626

IUPAC3-amino-2-benzyl-3-phenylpropan-1-ol
SMILESNC(c1ccccc1)C(CO)Cc1ccccc1
InChIInChI=1S/C16H19NO/c17-16(14-9-5-2-6-10-14)15(12-18)11-13-7-3-1-4-8-13/h1-10,15-16,18H,11-12,17H2
InChIKeyICQKDZDZTLESGV-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.54
Rot. Bonds5

About 3-amino-2-benzyl-3-phenylpropan-1-ol

3-amino-2-benzyl-3-phenylpropan-1-ol (PubChem CID 66351626) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-amino-2-benzyl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-benzyl-3-phenylpropan-1-ol
PubChem CID66351626
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-amino-2-benzyl-3-phenylpropan-1-ol
SMILESNC(c1ccccc1)C(CO)Cc1ccccc1
InChIInChI=1S/C16H19NO/c17-16(14-9-5-2-6-10-14)15(12-18)11-13-7-3-1-4-8-13/h1-10,15-16,18H,11-12,17H2
InChIKeyICQKDZDZTLESGV-UHFFFAOYSA-N
XLogP2.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

phenylalaninol, (S)-
CID 447213
(1S,2R)-(+)-2-Amino-1,2-diphenylethanol
CID 719822
phenylalaninol, (R)-
CID 853475
DL-Phenylalaninol
CID 76652
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
Benzenepentanol, delta-amino-
CID 99992
2-Amino-1,2-diphenylethanol
CID 22243
2-Amino-2-phenylethanol
CID 92466
(1R,2S)-(-)-2-Amino-1,2-diphenylethanol
CID 719819
(R)-beta-aminophenethyl alcohol
CID 2724025
2,4-Diamino-1,5-diphenyl-3-hydroxypentane
CID 452307
1-Propanol, 3-amino-3-phenyl-
CID 203500

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-benzyl-3-phenylpropan-1-ol?
The IUPAC name of 3-amino-2-benzyl-3-phenylpropan-1-ol (CID 66351626) is 3-amino-2-benzyl-3-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-2-benzyl-3-phenylpropan-1-ol?
The canonical SMILES for 3-amino-2-benzyl-3-phenylpropan-1-ol is NC(c1ccccc1)C(CO)Cc1ccccc1.
What is the InChIKey of 3-amino-2-benzyl-3-phenylpropan-1-ol?
The InChIKey is ICQKDZDZTLESGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c17-16(14-9-5-2-6-10-14)15(12-18)11-13-7-3-1-4-8-13/h1-10,15-16,18H,11-12,17H2.
What are the key properties of 3-amino-2-benzyl-3-phenylpropan-1-ol?
3-amino-2-benzyl-3-phenylpropan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-benzyl-3-phenylpropan-1-ol is sourced from PubChem (CID 66351626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).