1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine

C11H14ClNO — CID 54133919

IUPAC1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
SMILESCNCC1CCOc2cc(Cl)ccc21
InChIInChI=1S/C11H14ClNO/c1-13-7-8-4-5-14-11-6-9(12)2-3-10(8)11/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyNWHUJQRLTNAHGW-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.43
Rot. Bonds2

About 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine

1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine (PubChem CID 54133919) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
PubChem CID54133919
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
SMILESCNCC1CCOc2cc(Cl)ccc21
InChIInChI=1S/C11H14ClNO/c1-13-7-8-4-5-14-11-6-9(12)2-3-10(8)11/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyNWHUJQRLTNAHGW-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine (CID 54133919) is 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine is CNCC1CCOc2cc(Cl)ccc21.
What is the InChIKey of 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
The InChIKey is NWHUJQRLTNAHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-13-7-8-4-5-14-11-6-9(12)2-3-10(8)11/h2-3,6,8,13H,4-5,7H2,1H3.
What are the key properties of 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine?
1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine has a molecular weight of 211.69 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine is sourced from PubChem (CID 54133919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).