2-amino-3-phenylpropan-1-ol;methanamine

C10H18N2O — CID 162684961

IUPAC2-amino-3-phenylpropan-1-ol;methanamine
SMILESCN.NC(CO)Cc1ccccc1
InChIInChI=1S/C9H13NO.CH5N/c10-9(7-11)6-8-4-2-1-3-5-8;1-2/h1-5,9,11H,6-7,10H2;2H2,1H3
InChIKeySWMKBHKLIUSFCX-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.12
Rot. Bonds3

About 2-amino-3-phenylpropan-1-ol;methanamine

2-amino-3-phenylpropan-1-ol;methanamine (PubChem CID 162684961) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-amino-3-phenylpropan-1-ol;methanamine.

Molecular Properties

Compound Name2-amino-3-phenylpropan-1-ol;methanamine
PubChem CID162684961
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-amino-3-phenylpropan-1-ol;methanamine
SMILESCN.NC(CO)Cc1ccccc1
InChIInChI=1S/C9H13NO.CH5N/c10-9(7-11)6-8-4-2-1-3-5-8;1-2/h1-5,9,11H,6-7,10H2;2H2,1H3
InChIKeySWMKBHKLIUSFCX-UHFFFAOYSA-N
XLogP0.12
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-phenylpropan-1-ol;butan-1-ol
CID 174635361
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
2-amino-4-phenylbutan-1-ol
CID 159249603
(2R)-2-amino-3-phenylpropan-1-ol;2-naphthalen-2-yloxynaphthalene
CID 70294493
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955
(2R)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 54262187
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
2-amino-3-phenylpropan-1-ol;2-carbamimidoyl-1,1-dimethylguanidine
CID 176541547

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropan-1-ol;methanamine?
The IUPAC name of 2-amino-3-phenylpropan-1-ol;methanamine (CID 162684961) is 2-amino-3-phenylpropan-1-ol;methanamine.
What is the SMILES notation for 2-amino-3-phenylpropan-1-ol;methanamine?
The canonical SMILES for 2-amino-3-phenylpropan-1-ol;methanamine is CN.NC(CO)Cc1ccccc1.
What is the InChIKey of 2-amino-3-phenylpropan-1-ol;methanamine?
The InChIKey is SWMKBHKLIUSFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.CH5N/c10-9(7-11)6-8-4-2-1-3-5-8;1-2/h1-5,9,11H,6-7,10H2;2H2,1H3.
What are the key properties of 2-amino-3-phenylpropan-1-ol;methanamine?
2-amino-3-phenylpropan-1-ol;methanamine has a molecular weight of 182.27 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropan-1-ol;methanamine is sourced from PubChem (CID 162684961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).