(3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine

C12H17NO — CID 130607809

IUPAC(3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine
SMILESCC(C)c1cccc2c1C[C@@H](N)CO2
InChIInChI=1S/C12H17NO/c1-8(2)10-4-3-5-12-11(10)6-9(13)7-14-12/h3-5,8-9H,6-7,13H2,1-2H3/t9-/m1/s1
InChIKeyWSQHXXVMZGFLPA-SECBINFHSA-N
MW191.27 g/mol
LogP2.07
Rot. Bonds1

About (3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine

(3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 130607809) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine
PubChem CID130607809
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine
SMILESCC(C)c1cccc2c1C[C@@H](N)CO2
InChIInChI=1S/C12H17NO/c1-8(2)10-4-3-5-12-11(10)6-9(13)7-14-12/h3-5,8-9H,6-7,13H2,1-2H3/t9-/m1/s1
InChIKeyWSQHXXVMZGFLPA-SECBINFHSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3,4-dihydro-2H-chromen-5-ol
CID 22366572
8-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130000646
(3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine
CID 130731304
(3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine
CID 69173545
4-[[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]oxy]butan-2-ylcarbamic acid
CID 69172209
(3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine
CID 25115598
5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine
CID 136570479
5-[(3S)-3-amino-3,4-dihydro-2H-chromen-5-yl]-N,N-dimethylpyrimidine-2-carboxamide
CID 25115372
2,5-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 166819629
2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran
CID 123856255
1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine
CID 22496570
5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 156687185

Frequently Asked Questions

What is the IUPAC name of (3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine (CID 130607809) is (3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine is CC(C)c1cccc2c1C[C@@H](N)CO2.
What is the InChIKey of (3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is WSQHXXVMZGFLPA-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)10-4-3-5-12-11(10)6-9(13)7-14-12/h3-5,8-9H,6-7,13H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine?
(3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 191.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-propan-2-yl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 130607809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).