(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine

C12H17NO — CID 42220633

IUPAC(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
SMILESCc1ccc2c(c1)OC(C)(C)C[C@@H]2N
InChIInChI=1S/C12H17NO/c1-8-4-5-9-10(13)7-12(2,3)14-11(9)6-8/h4-6,10H,7,13H2,1-3H3/t10-/m0/s1
InChIKeyBKAPEEZAPOLFQE-JTQLQIEISA-N
MW191.27 g/mol
LogP2.56
Rot. Bonds

About (4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine

(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine (PubChem CID 42220633) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
PubChem CID42220633
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
SMILESCc1ccc2c(c1)OC(C)(C)C[C@@H]2N
InChIInChI=1S/C12H17NO/c1-8-4-5-9-10(13)7-12(2,3)14-11(9)6-8/h4-6,10H,7,13H2,1-3H3/t10-/m0/s1
InChIKeyBKAPEEZAPOLFQE-JTQLQIEISA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 46736559
(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 97050676
(4R)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-amine
CID 42220652
2,2,6,7-tetramethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 162328196
2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine
CID 68595948
6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696862
2,2-dimethyl-7-(3,3,3-trifluoropropoxy)-3,4-dihydrochromen-4-amine
CID 64553531
N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461776
2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine
CID 11806168
(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 42220642
N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82461769
8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
CID 64696649

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine (CID 42220633) is (4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine is Cc1ccc2c(c1)OC(C)(C)C[C@@H]2N.
What is the InChIKey of (4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is BKAPEEZAPOLFQE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO/c1-8-4-5-9-10(13)7-12(2,3)14-11(9)6-8/h4-6,10H,7,13H2,1-3H3/t10-/m0/s1.
What are the key properties of (4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine?
(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 191.27 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 42220633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).