(4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine

C13H17NO — CID 129373275

IUPAC(4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine
SMILESN[C@H]1CCOc2c1ccc1c2CCCC1
InChIInChI=1S/C13H17NO/c14-12-7-8-15-13-10-4-2-1-3-9(10)5-6-11(12)13/h5-6,12H,1-4,7-8,14H2/t12-/m0/s1
InChIKeyHAJKFYXWBZOLKM-LBPRGKRZSA-N
MW203.28 g/mol
LogP2.35
Rot. Bonds

About (4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine

(4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine (PubChem CID 129373275) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine.

Molecular Properties

Compound Name(4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine
PubChem CID129373275
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine
SMILESN[C@H]1CCOc2c1ccc1c2CCCC1
InChIInChI=1S/C13H17NO/c14-12-7-8-15-13-10-4-2-1-3-9(10)5-6-11(12)13/h5-6,12H,1-4,7-8,14H2/t12-/m0/s1
InChIKeyHAJKFYXWBZOLKM-LBPRGKRZSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride
CID 171252431
(3R)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-amine
CID 130721895
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
(6R)-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-6-amine
CID 130741289
(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine
CID 131161469
(4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
CID 55292280
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828
8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 71432700
8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
CID 55294993
4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile
CID 55273180
9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153235
(4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid
CID 171252203

Frequently Asked Questions

What is the IUPAC name of (4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine?
The IUPAC name of (4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine (CID 129373275) is (4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine.
What is the SMILES notation for (4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine?
The canonical SMILES for (4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine is N[C@H]1CCOc2c1ccc1c2CCCC1.
What is the InChIKey of (4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine?
The InChIKey is HAJKFYXWBZOLKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO/c14-12-7-8-15-13-10-4-2-1-3-9(10)5-6-11(12)13/h5-6,12H,1-4,7-8,14H2/t12-/m0/s1.
What are the key properties of (4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine?
(4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine has a molecular weight of 203.28 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine is sourced from PubChem (CID 129373275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).