(1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine

C14H19ClN2 — CID 104921307

IUPAC(1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
SMILESCC1=CCN(c2ccc([C@@H](C)N)cc2Cl)CC1
InChIInChI=1S/C14H19ClN2/c1-10-5-7-17(8-6-10)14-4-3-12(11(2)16)9-13(14)15/h3-5,9,11H,6-8,16H2,1-2H3/t11-/m1/s1
InChIKeyFMOQNQAOGFJKTQ-LLVKDONJSA-N
MW250.77 g/mol
LogP3.52
Rot. Bonds2

About (1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine

(1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine (PubChem CID 104921307) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
PubChem CID104921307
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name(1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
SMILESCC1=CCN(c2ccc([C@@H](C)N)cc2Cl)CC1
InChIInChI=1S/C14H19ClN2/c1-10-5-7-17(8-6-10)14-4-3-12(11(2)16)9-13(14)15/h3-5,9,11H,6-8,16H2,1-2H3/t11-/m1/s1
InChIKeyFMOQNQAOGFJKTQ-LLVKDONJSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-bromo-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 114410367
(1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine
CID 63368334
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663
(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 104921308
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
4-[4-(1-aminoethyl)-2-chlorophenyl]piperazine-2,6-dione
CID 66083936
(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
CID 78944491
1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine
CID 63532102
1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 62909542
(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114237230

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine (CID 104921307) is (1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine is CC1=CCN(c2ccc([C@@H](C)N)cc2Cl)CC1.
What is the InChIKey of (1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
The InChIKey is FMOQNQAOGFJKTQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-10-5-7-17(8-6-10)14-4-3-12(11(2)16)9-13(14)15/h3-5,9,11H,6-8,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
(1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine has a molecular weight of 250.77 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 104921307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).