2-amino-3-phenylmethoxybutan-1-ol;methane

C12H21NO2 — CID 162219428

IUPAC2-amino-3-phenylmethoxybutan-1-ol;methane
SMILESC.CC(OCc1ccccc1)C(N)CO
InChIInChI=1S/C11H17NO2.CH4/c1-9(11(12)7-13)14-8-10-5-3-2-4-6-10;/h2-6,9,11,13H,7-8,12H2,1H3;1H4
InChIKeyZTXORYDAMVMWHQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.55
Rot. Bonds5

About 2-amino-3-phenylmethoxybutan-1-ol;methane

2-amino-3-phenylmethoxybutan-1-ol;methane (PubChem CID 162219428) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-3-phenylmethoxybutan-1-ol;methane.

Molecular Properties

Compound Name2-amino-3-phenylmethoxybutan-1-ol;methane
PubChem CID162219428
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name2-amino-3-phenylmethoxybutan-1-ol;methane
SMILESC.CC(OCc1ccccc1)C(N)CO
InChIInChI=1S/C11H17NO2.CH4/c1-9(11(12)7-13)14-8-10-5-3-2-4-6-10;/h2-6,9,11,13H,7-8,12H2,1H3;1H4
InChIKeyZTXORYDAMVMWHQ-UHFFFAOYSA-N
XLogP1.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(2-amino-3-phenylmethoxybutyl) carbamate
CID 58079589
[(2S)-2-amino-3-phenylmethoxybutyl] carbamate
CID 90463692
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
2-amino-3-phenylmethoxybutanoic acid;hydrochloride
CID 53434211
(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
CID 10799879
benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
CID 7019780
6-phenylmethoxyheptane-1,2,3,4,5-pentol
CID 174419324
3,4-bis(phenylmethoxy)pentan-1-ol
CID 123654711
(3S,4S)-4-phenylmethoxypent-1-yn-3-amine
CID 130942712
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylmethoxybutan-1-ol;methane?
The IUPAC name of 2-amino-3-phenylmethoxybutan-1-ol;methane (CID 162219428) is 2-amino-3-phenylmethoxybutan-1-ol;methane.
What is the SMILES notation for 2-amino-3-phenylmethoxybutan-1-ol;methane?
The canonical SMILES for 2-amino-3-phenylmethoxybutan-1-ol;methane is C.CC(OCc1ccccc1)C(N)CO.
What is the InChIKey of 2-amino-3-phenylmethoxybutan-1-ol;methane?
The InChIKey is ZTXORYDAMVMWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.CH4/c1-9(11(12)7-13)14-8-10-5-3-2-4-6-10;/h2-6,9,11,13H,7-8,12H2,1H3;1H4.
What are the key properties of 2-amino-3-phenylmethoxybutan-1-ol;methane?
2-amino-3-phenylmethoxybutan-1-ol;methane has a molecular weight of 211.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylmethoxybutan-1-ol;methane is sourced from PubChem (CID 162219428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).