(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

C12H17NO — CID 174973153

IUPAC(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)[C@@H]1COc2ccccc2[C@@H]1N
InChIInChI=1S/C12H17NO/c1-8(2)10-7-14-11-6-4-3-5-9(11)12(10)13/h3-6,8,10,12H,7,13H2,1-2H3/t10-,12-/m0/s1
InChIKeyATYNTZMPLTYOML-JQWIXIFHSA-N
MW191.27 g/mol
LogP2.35
Rot. Bonds1

About (3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 174973153) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID174973153
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)[C@@H]1COc2ccccc2[C@@H]1N
InChIInChI=1S/C12H17NO/c1-8(2)10-7-14-11-6-4-3-5-9(11)12(10)13/h3-6,8,10,12H,7,13H2,1-2H3/t10-,12-/m0/s1
InChIKeyATYNTZMPLTYOML-JQWIXIFHSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3-propan-2-ylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 64676596
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43184438
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine
CID 102547899
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43264901
3-(3,4-dimethylpyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 79189276
3-N-(2-methoxyethyl)-3-N-propan-2-yl-3,4-dihydro-2H-chromene-3,4-diamine
CID 82965010
5-methyl-2,3,4,5-tetrahydro-1-benzoxepin-3-amine
CID 142226246

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 174973153) is (3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CC(C)[C@@H]1COc2ccccc2[C@@H]1N.
What is the InChIKey of (3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ATYNTZMPLTYOML-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)10-7-14-11-6-4-3-5-9(11)12(10)13/h3-6,8,10,12H,7,13H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of (3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 191.27 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 174973153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).