(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol

C12H20N2O — CID 93083040

IUPAC(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
SMILESC[C@@H](CO)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2O/c1-10(9-15)13-8-11-4-6-12(7-5-11)14(2)3/h4-7,10,13,15H,8-9H2,1-3H3/t10-/m0/s1
InChIKeyQYOVVUOICGPJHS-JTQLQIEISA-N
MW208.31 g/mol
LogP1.22
Rot. Bonds5

About (2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol

(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol (PubChem CID 93083040) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
PubChem CID93083040
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
SMILESC[C@@H](CO)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2O/c1-10(9-15)13-8-11-4-6-12(7-5-11)14(2)3/h4-7,10,13,15H,8-9H2,1-3H3/t10-/m0/s1
InChIKeyQYOVVUOICGPJHS-JTQLQIEISA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
2-[[4-(dimethylamino)phenyl]methylamino]butan-1-ol;hydrochloride
CID 2988960
4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
CID 60956705
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
CID 114985652
2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol
CID 165446376
2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol
CID 66523313
2-N-[[4-(dimethylamino)phenyl]methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476450
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline
CID 113259919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol?
The IUPAC name of (2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol (CID 93083040) is (2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol is C[C@@H](CO)NCc1ccc(N(C)C)cc1.
What is the InChIKey of (2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol?
The InChIKey is QYOVVUOICGPJHS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(9-15)13-8-11-4-6-12(7-5-11)14(2)3/h4-7,10,13,15H,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol?
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 93083040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).