(3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine

C13H16ClNO — CID 107103040

IUPAC(3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESCc1c(Cl)cccc1C(N)C1=COCCC1
InChIInChI=1S/C13H16ClNO/c1-9-11(5-2-6-12(9)14)13(15)10-4-3-7-16-8-10/h2,5-6,8,13H,3-4,7,15H2,1H3
InChIKeyFMXJLUTULJMVRT-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.34
Rot. Bonds2

About (3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine

(3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine (PubChem CID 107103040) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
PubChem CID107103040
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESCc1c(Cl)cccc1C(N)C1=COCCC1
InChIInChI=1S/C13H16ClNO/c1-9-11(5-2-6-12(9)14)13(15)10-4-3-7-16-8-10/h2,5-6,8,13H,3-4,7,15H2,1H3
InChIKeyFMXJLUTULJMVRT-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033531
(3-bromo-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033406
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033054
[(2-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 105210973
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
(3-chloro-2-methylphenyl)-(furan-2-yl)methanamine
CID 107096502
(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 103407202
(2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 107946680
(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 106859492
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033503
(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 114894573
1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 107985362

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The IUPAC name of (3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine (CID 107103040) is (3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The canonical SMILES for (3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine is Cc1c(Cl)cccc1C(N)C1=COCCC1.
What is the InChIKey of (3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The InChIKey is FMXJLUTULJMVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9-11(5-2-6-12(9)14)13(15)10-4-3-7-16-8-10/h2,5-6,8,13H,3-4,7,15H2,1H3.
What are the key properties of (3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
(3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine has a molecular weight of 237.73 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine is sourced from PubChem (CID 107103040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).