6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine

C15H22ClNO — CID 114201319

IUPAC6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CC(C)C1CC(N)c2cc(Cl)ccc2O1
InChIInChI=1S/C15H22ClNO/c1-9(2)6-10(3)15-8-13(17)12-7-11(16)4-5-14(12)18-15/h4-5,7,9-10,13,15H,6,8,17H2,1-3H3
InChIKeySDRQWLDIZHXVHA-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.17
Rot. Bonds3

About 6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine

6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114201319) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114201319
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CC(C)C1CC(N)c2cc(Cl)ccc2O1
InChIInChI=1S/C15H22ClNO/c1-9(2)6-10(3)15-8-13(17)12-7-11(16)4-5-14(12)18-15/h4-5,7,9-10,13,15H,6,8,17H2,1-3H3
InChIKeySDRQWLDIZHXVHA-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114201320
6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709040
(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945012
(4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 104945006
(4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949258
(4S)-6-chloro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945167
6-methoxy-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709829
6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 114709076
6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714596
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868304
(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104945286

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114201319) is 6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine is CC(C)CC(C)C1CC(N)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SDRQWLDIZHXVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-9(2)6-10(3)15-8-13(17)12-7-11(16)4-5-14(12)18-15/h4-5,7,9-10,13,15H,6,8,17H2,1-3H3.
What are the key properties of 6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 267.80 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114201319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).