(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

C12H14ClNO — CID 102647320

IUPAC(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)11-7-3-4-8-15-11/h1-2,5-7,12H,3-4,8,14H2
InChIKeyYACHKKKQDOAZKQ-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.03
Rot. Bonds2

About (2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (PubChem CID 102647320) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
PubChem CID102647320
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)11-7-3-4-8-15-11/h1-2,5-7,12H,3-4,8,14H2
InChIKeyYACHKKKQDOAZKQ-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648980
(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 103443841
(2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653572
[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102650276
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
[(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 103445843
(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649654
[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102649953
2,3-dihydrofuran-5-yl-(2-fluoro-3-methylphenyl)methanamine
CID 102653149
(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647123
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 102648801
2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
CID 102647655

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The IUPAC name of (2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (CID 102647320) is (2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is NC(C1=CCCCO1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The InChIKey is YACHKKKQDOAZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)11-7-3-4-8-15-11/h1-2,5-7,12H,3-4,8,14H2.
What are the key properties of (2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine has a molecular weight of 223.70 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is sourced from PubChem (CID 102647320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).