[4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol

C15H22N2O — CID 141207849

IUPAC[4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol
SMILESC[C@H](N)c1ccc(C(O)C2=CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-11(16)12-3-5-13(6-4-12)15(18)14-7-9-17(2)10-8-14/h3-7,11,15,18H,8-10,16H2,1-2H3/t11-,15?/m0/s1
InChIKeyGXIXEFSKUZRQLB-VPHXOMNUSA-N
MW246.35 g/mol
LogP2.00
Rot. Bonds3

About [4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol

[4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol (PubChem CID 141207849) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol.

Molecular Properties

Compound Name[4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol
PubChem CID141207849
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol
SMILESC[C@H](N)c1ccc(C(O)C2=CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-11(16)12-3-5-13(6-4-12)15(18)14-7-9-17(2)10-8-14/h3-7,11,15,18H,8-10,16H2,1-2H3/t11-,15?/m0/s1
InChIKeyGXIXEFSKUZRQLB-VPHXOMNUSA-N
XLogP2.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 121223730
(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
1-[4-(1-aminoethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 167040100
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
cyclohexen-1-yl-(4-ethoxyphenyl)methanol
CID 55033893
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
CID 117052228
cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 106651079
1-[4-(1-pyrrolidin-1-ylethyl)phenyl]ethanamine;hydrochloride
CID 67217460
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride
CID 75414041
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol?
The IUPAC name of [4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol (CID 141207849) is [4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol.
What is the SMILES notation for [4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol?
The canonical SMILES for [4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol is C[C@H](N)c1ccc(C(O)C2=CCN(C)CC2)cc1.
What is the InChIKey of [4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol?
The InChIKey is GXIXEFSKUZRQLB-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(16)12-3-5-13(6-4-12)15(18)14-7-9-17(2)10-8-14/h3-7,11,15,18H,8-10,16H2,1-2H3/t11-,15?/m0/s1.
What are the key properties of [4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol?
[4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol has a molecular weight of 246.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-aminoethyl]phenyl]-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol is sourced from PubChem (CID 141207849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).