(1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine

C12H16ClNO — CID 165453529

IUPAC(1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine
SMILESCc1cc2c(cc1Cl)CC([C@H](C)N)CO2
InChIInChI=1S/C12H16ClNO/c1-7-3-12-9(5-11(7)13)4-10(6-15-12)8(2)14/h3,5,8,10H,4,6,14H2,1-2H3/t8-,10?/m0/s1
InChIKeyLPIANGDNWKYLCR-PEHGTWAWSA-N
MW225.72 g/mol
LogP2.55
Rot. Bonds1

About (1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine

(1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine (PubChem CID 165453529) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine
PubChem CID165453529
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine
SMILESCc1cc2c(cc1Cl)CC([C@H](C)N)CO2
InChIInChI=1S/C12H16ClNO/c1-7-3-12-9(5-11(7)13)4-10(6-15-12)8(2)14/h3,5,8,10H,4,6,14H2,1-2H3/t8-,10?/m0/s1
InChIKeyLPIANGDNWKYLCR-PEHGTWAWSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine
CID 165461235
(1R)-1-(6-chloro-8-methoxy-3,4-dihydro-2H-chromen-3-yl)ethanamine
CID 165453533
4-(1-aminoethyl)oxolan-2-one
CID 173037685
5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 165462903
2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid
CID 105478918
methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate
CID 165466089
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
CID 65411860
6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 82610365
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine
CID 65409504
(3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 65411666
1-[1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine
CID 66360453
5-chloro-6-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 162379664

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine?
The IUPAC name of (1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine (CID 165453529) is (1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine is Cc1cc2c(cc1Cl)CC([C@H](C)N)CO2.
What is the InChIKey of (1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine?
The InChIKey is LPIANGDNWKYLCR-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-7-3-12-9(5-11(7)13)4-10(6-15-12)8(2)14/h3,5,8,10H,4,6,14H2,1-2H3/t8-,10?/m0/s1.
What are the key properties of (1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine?
(1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine has a molecular weight of 225.72 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine is sourced from PubChem (CID 165453529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).