(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine

C13H19NO — CID 42220642

IUPAC(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCc1ccc2c(c1)[C@@H](N)CC(C)(C)O2
InChIInChI=1S/C13H19NO/c1-4-9-5-6-12-10(7-9)11(14)8-13(2,3)15-12/h5-7,11H,4,8,14H2,1-3H3/t11-/m0/s1
InChIKeyBARMYPFKQXQJLP-NSHDSACASA-N
MW205.30 g/mol
LogP2.81
Rot. Bonds1

About (4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine

(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 42220642) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID42220642
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCc1ccc2c(c1)[C@@H](N)CC(C)(C)O2
InChIInChI=1S/C13H19NO/c1-4-9-5-6-12-10(7-9)11(14)8-13(2,3)15-12/h5-7,11H,4,8,14H2,1-3H3/t11-/m0/s1
InChIKeyBARMYPFKQXQJLP-NSHDSACASA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Apdb
CID 192601
4-Ethoxy-alpha-methylbenzeneethanamine
CID 125379
2-Ethoxybenzylamine
CID 123465
1-(4-Propoxyphenyl)propan-2-amine
CID 3027265
1-(4-Butoxyphenyl)ethanamine
CID 56263
1-(4-Ethoxyphenyl)ethan-1-amine
CID 59831
2,3-Dihydro-1-benzofuran-5-ylmethanamine
CID 2735367
(2-Phenoxyphenyl)methanamine
CID 17749841
9H-Xanthen-9-amine
CID 602451
1-(2-Methoxyphenyl)ethan-1-amine
CID 2794230
1-(2,3-Dihydrobenzofuran-5-yl)-N-methylpropan-2-amine
CID 112500533
1-(4-Butoxyphenyl)propan-2-amine
CID 21341306

Frequently Asked Questions

What is the IUPAC name of (4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 42220642) is (4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine is CCc1ccc2c(c1)[C@@H](N)CC(C)(C)O2.
What is the InChIKey of (4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is BARMYPFKQXQJLP-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO/c1-4-9-5-6-12-10(7-9)11(14)8-13(2,3)15-12/h5-7,11H,4,8,14H2,1-3H3/t11-/m0/s1.
What are the key properties of (4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 205.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 42220642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).