8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine

C14H21ClN2O — CID 82188187

IUPAC8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCN(CC)CC1COc2c(Cl)cccc2C1N
InChIInChI=1S/C14H21ClN2O/c1-3-17(4-2)8-10-9-18-14-11(13(10)16)6-5-7-12(14)15/h5-7,10,13H,3-4,8-9,16H2,1-2H3
InChIKeyINMWXAWEEGRVJL-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.69
Rot. Bonds4

About 8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine

8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82188187) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82188187
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCN(CC)CC1COc2c(Cl)cccc2C1N
InChIInChI=1S/C14H21ClN2O/c1-3-17(4-2)8-10-9-18-14-11(13(10)16)6-5-7-12(14)15/h5-7,10,13H,3-4,8-9,16H2,1-2H3
InChIKeyINMWXAWEEGRVJL-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol
CID 82188571
8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82188183
8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188064
1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83753333
8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188074
8-chloro-3-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 82186909
(5S)-9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014554
3-(diethylaminomethyl)-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-amine
CID 82188307
8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188166
7-chloro-N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 131089948
8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82188227

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82188187) is 8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine is CCN(CC)CC1COc2c(Cl)cccc2C1N.
What is the InChIKey of 8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is INMWXAWEEGRVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-17(4-2)8-10-9-18-14-11(13(10)16)6-5-7-12(14)15/h5-7,10,13H,3-4,8-9,16H2,1-2H3.
What are the key properties of 8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine?
8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82188187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).