[(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine

C10H13NO — CID 97102720

IUPAC[(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine
SMILESNC[C@@H]1Cc2ccccc2CO1
InChIInChI=1S/C10H13NO/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10H,5-7,11H2/t10-/m0/s1
InChIKeyMMZKPTNDPNDNKS-JTQLQIEISA-N
MW163.22 g/mol
LogP1.09
Rot. Bonds1

About [(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine

[(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine (PubChem CID 97102720) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is [(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine
PubChem CID97102720
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name[(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine
SMILESNC[C@@H]1Cc2ccccc2CO1
InChIInChI=1S/C10H13NO/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10H,5-7,11H2/t10-/m0/s1
InChIKeyMMZKPTNDPNDNKS-JTQLQIEISA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Phenyloxolan-2-yl)methanamine
CID 11571886
Tofenacin
CID 25315
2-(Diphenylmethoxy)ethylamine
CID 36060
2-Phenylmorpholine
CID 91101
(3,4-dihydro-1H-isochromen-1-ylmethyl)amine
CID 209070
2-(Aminomethyl)-5-(1''-naphthyl)tetrahydrofuran
CID 11572135
1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl-
CID 421184
N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine
CID 2836274
Phenethylamine, beta-methoxy-, hydrochloride
CID 3046412
2-Methoxy-2-phenylethan-1-amine
CID 409782
2-(Benzyloxy)ethanamine
CID 533868
(1R,2R)-trans-2-Benzyloxy-cyclopentylamine
CID 11863649

Frequently Asked Questions

What is the IUPAC name of [(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine?
The IUPAC name of [(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine (CID 97102720) is [(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine.
What is the SMILES notation for [(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine?
The canonical SMILES for [(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine is NC[C@@H]1Cc2ccccc2CO1.
What is the InChIKey of [(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine?
The InChIKey is MMZKPTNDPNDNKS-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NO/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10H,5-7,11H2/t10-/m0/s1.
What are the key properties of [(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine?
[(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine has a molecular weight of 163.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3,4-dihydro-1H-isochromen-3-yl]methanamine is sourced from PubChem (CID 97102720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).