7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine

C14H19ClFNO — CID 116689692

IUPAC7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(C)(C)Oc2c1ccc(Cl)c2F
InChIInChI=1S/C14H19ClFNO/c1-4-7-17-11-8-14(2,3)18-13-9(11)5-6-10(15)12(13)16/h5-6,11,17H,4,7-8H2,1-3H3
InChIKeySVPNQYFRAPOAKV-UHFFFAOYSA-N
MW271.76 g/mol
LogP4.08
Rot. Bonds3

About 7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine

7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine (PubChem CID 116689692) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
PubChem CID116689692
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(C)(C)Oc2c1ccc(Cl)c2F
InChIInChI=1S/C14H19ClFNO/c1-4-7-17-11-8-14(2,3)18-13-9(11)5-6-10(15)12(13)16/h5-6,11,17H,4,7-8H2,1-3H3
InChIKeySVPNQYFRAPOAKV-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64699313
7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462059
8-methoxy-2,2,6-trimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64696641
N',N'-diethyl-N-(2,2,7,8-tetramethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461834
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
5-bromo-8-chloro-N-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64698713
7-(methoxymethoxy)-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 65365816
4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 79837283
8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107659828
2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine
CID 64697481
N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696643
5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 64698506

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine (CID 116689692) is 7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine is CCCNC1CC(C)(C)Oc2c1ccc(Cl)c2F.
What is the InChIKey of 7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
The InChIKey is SVPNQYFRAPOAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-4-7-17-11-8-14(2,3)18-13-9(11)5-6-10(15)12(13)16/h5-6,11,17H,4,7-8H2,1-3H3.
What are the key properties of 7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine has a molecular weight of 271.76 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 116689692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).