7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

C12H16ClNO — CID 79982699

IUPAC7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)NC1CCOc2cc(Cl)ccc21
InChIInChI=1S/C12H16ClNO/c1-8(2)14-11-5-6-15-12-7-9(13)3-4-10(11)12/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyTXDUJVPNHNGSKQ-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.16
Rot. Bonds2

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

7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 79982699) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID79982699
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)NC1CCOc2cc(Cl)ccc21
InChIInChI=1S/C12H16ClNO/c1-8(2)14-11-5-6-15-12-7-9(13)3-4-10(11)12/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyTXDUJVPNHNGSKQ-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 79982699) is 7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CC(C)NC1CCOc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is TXDUJVPNHNGSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8(2)14-11-5-6-15-12-7-9(13)3-4-10(11)12/h3-4,7-8,11,14H,5-6H2,1-2H3.
What are the key properties of 7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 225.72 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 79982699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).