(1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol

C18H25N3O — CID 99957750

IUPAC(1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol
SMILESCN(CC[C@H](O)c1ccccc1)Cc1ccc(N(C)C)nc1
InChIInChI=1S/C18H25N3O/c1-20(2)18-10-9-15(13-19-18)14-21(3)12-11-17(22)16-7-5-4-6-8-16/h4-10,13,17,22H,11-12,14H2,1-3H3/t17-/m0/s1
InChIKeyQTTJLNXDWPGXPO-KRWDZBQOSA-N
MW299.42 g/mol
LogP2.70
Rot. Bonds7

About (1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol

(1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol (PubChem CID 99957750) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol
PubChem CID99957750
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol
SMILESCN(CC[C@H](O)c1ccccc1)Cc1ccc(N(C)C)nc1
InChIInChI=1S/C18H25N3O/c1-20(2)18-10-9-15(13-19-18)14-21(3)12-11-17(22)16-7-5-4-6-8-16/h4-10,13,17,22H,11-12,14H2,1-3H3/t17-/m0/s1
InChIKeyQTTJLNXDWPGXPO-KRWDZBQOSA-N
XLogP2.70
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
3-[methyl-[(4-nitrophenyl)methyl]amino]-1-phenylpropan-1-ol
CID 141224806
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936
(2R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 94750528
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-phenylpropan-1-ol
CID 45231089
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62645449

Frequently Asked Questions

What is the IUPAC name of (1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol (CID 99957750) is (1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol is CN(CC[C@H](O)c1ccccc1)Cc1ccc(N(C)C)nc1.
What is the InChIKey of (1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol?
The InChIKey is QTTJLNXDWPGXPO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20(2)18-10-9-15(13-19-18)14-21(3)12-11-17(22)16-7-5-4-6-8-16/h4-10,13,17,22H,11-12,14H2,1-3H3/t17-/m0/s1.
What are the key properties of (1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol?
(1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol has a molecular weight of 299.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 99957750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).