[3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol

C15H26N2O — CID 125443275

IUPAC[3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol
SMILESCCN(CC)C[C@H](C)NCc1cccc(CO)c1
InChIInChI=1S/C15H26N2O/c1-4-17(5-2)11-13(3)16-10-14-7-6-8-15(9-14)12-18/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t13-/m0/s1
InChIKeyHFOGTANLVBJBMY-ZDUSSCGKSA-N
MW250.39 g/mol
LogP2.00
Rot. Bonds8

About [3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol

[3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol (PubChem CID 125443275) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is [3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol
PubChem CID125443275
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name[3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol
SMILESCCN(CC)C[C@H](C)NCc1cccc(CO)c1
InChIInChI=1S/C15H26N2O/c1-4-17(5-2)11-13(3)16-10-14-7-6-8-15(9-14)12-18/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t13-/m0/s1
InChIKeyHFOGTANLVBJBMY-ZDUSSCGKSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(butan-2-ylamino)methyl]phenyl]methanol
CID 115717741
3-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230406
[3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol
CID 103781733
[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 103781729
(2S)-2-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 95189212
3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol
CID 82946106
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
2-N-[2-(3-bromophenyl)ethyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 113408514
4-[[1-(diethylamino)propan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77032034
[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol
CID 115717750
[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol
CID 103729618
N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide
CID 125435236

Frequently Asked Questions

What is the IUPAC name of [3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol (CID 125443275) is [3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol is CCN(CC)C[C@H](C)NCc1cccc(CO)c1.
What is the InChIKey of [3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol?
The InChIKey is HFOGTANLVBJBMY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(5-2)11-13(3)16-10-14-7-6-8-15(9-14)12-18/h6-9,13,16,18H,4-5,10-12H2,1-3H3/t13-/m0/s1.
What are the key properties of [3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol?
[3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol has a molecular weight of 250.39 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[(2S)-1-(diethylamino)propan-2-yl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 125443275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).