(2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol

C14H24N2O — CID 114010183

IUPAC(2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol
SMILESCC(C)C(CN)CN[C@H](CO)c1ccccc1
InChIInChI=1S/C14H24N2O/c1-11(2)13(8-15)9-16-14(10-17)12-6-4-3-5-7-12/h3-7,11,13-14,16-17H,8-10,15H2,1-2H3/t13?,14-/m1/s1
InChIKeyUQZFVBAPUCRIGC-ARLHGKGLSA-N
MW236.36 g/mol
LogP1.54
Rot. Bonds7

About (2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol

(2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol (PubChem CID 114010183) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol
PubChem CID114010183
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol
SMILESCC(C)C(CN)CN[C@H](CO)c1ccccc1
InChIInChI=1S/C14H24N2O/c1-11(2)13(8-15)9-16-14(10-17)12-6-4-3-5-7-12/h3-7,11,13-14,16-17H,8-10,15H2,1-2H3/t13?,14-/m1/s1
InChIKeyUQZFVBAPUCRIGC-ARLHGKGLSA-N
XLogP1.54
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-(aminomethyl)-3-phenylbutan-1-ol
CID 99963418
N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441196
2-(2-methylhept-4-ynylamino)-2-phenylethanol
CID 175342151
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
2-(but-2-ynylamino)-2-phenylethanol
CID 63183049
N'-[(1S)-1-(3-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442499
4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide
CID 81080405
(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol
CID 24741569
2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol
CID 63183006
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide
CID 106114237
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol
CID 159072005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol (CID 114010183) is (2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol is CC(C)C(CN)CN[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol?
The InChIKey is UQZFVBAPUCRIGC-ARLHGKGLSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)13(8-15)9-16-14(10-17)12-6-4-3-5-7-12/h3-7,11,13-14,16-17H,8-10,15H2,1-2H3/t13?,14-/m1/s1.
What are the key properties of (2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol?
(2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol has a molecular weight of 236.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol is sourced from PubChem (CID 114010183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).