7-chloro-3,4-dihydro-2H-chromen-3-amine

C9H10ClNO — CID 3041603

IUPAC7-chloro-3,4-dihydro-2H-chromen-3-amine
SMILESNC1COc2cc(Cl)ccc2C1
InChIInChI=1S/C9H10ClNO/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-2,4,8H,3,5,11H2
InChIKeySFCGCBIKHFWQOV-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.60
Rot. Bonds

About 7-chloro-3,4-dihydro-2H-chromen-3-amine

7-chloro-3,4-dihydro-2H-chromen-3-amine (PubChem CID 3041603) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 7-chloro-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name7-chloro-3,4-dihydro-2H-chromen-3-amine
PubChem CID3041603
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name7-chloro-3,4-dihydro-2H-chromen-3-amine
SMILESNC1COc2cc(Cl)ccc2C1
InChIInChI=1S/C9H10ClNO/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-2,4,8H,3,5,11H2
InChIKeySFCGCBIKHFWQOV-UHFFFAOYSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-3,4-dihydro-2H-chromen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 7-chloro-3,4-dihydro-2H-chromen-3-amine (CID 3041603) is 7-chloro-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 7-chloro-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 7-chloro-3,4-dihydro-2H-chromen-3-amine is NC1COc2cc(Cl)ccc2C1.
What is the InChIKey of 7-chloro-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is SFCGCBIKHFWQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-2,4,8H,3,5,11H2.
What are the key properties of 7-chloro-3,4-dihydro-2H-chromen-3-amine?
7-chloro-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 183.64 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 3041603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).