(4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride

C11H16ClNO — CID 155487266

IUPAC(4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride
SMILESCC1(C)C[C@H](N)c2ccccc2O1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11;/h3-6,9H,7,12H2,1-2H3;1H/t9-;/m0./s1
InChIKeyOHBAWAXGKXWFAZ-FVGYRXGTSA-N
MW213.71 g/mol
LogP2.67
Rot. Bonds

About (4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride

(4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride (PubChem CID 155487266) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride
PubChem CID155487266
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride
SMILESCC1(C)C[C@H](N)c2ccccc2O1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11;/h3-6,9H,7,12H2,1-2H3;1H/t9-;/m0./s1
InChIKeyOHBAWAXGKXWFAZ-FVGYRXGTSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-(Cyclopentyloxy)phenyl]methanamine
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9H-Xanthen-9-amine
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1-(2-Methoxyphenyl)ethan-1-amine
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10AH-Dibenzo[B,D]pyran-10A-amine, 6,6A,7,8,9,10-
CID 19106956
N-methyl-6,6a,7,10-tetrahydrobenzo[c]chromen-10a-amine
CID 19107059
6,6a,7,8,9,10-Hexahydrobenzo[c]chromen-10a-amine
CID 19107088

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride?
The IUPAC name of (4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride (CID 155487266) is (4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride.
What is the SMILES notation for (4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride?
The canonical SMILES for (4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride is CC1(C)C[C@H](N)c2ccccc2O1.Cl.
What is the InChIKey of (4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride?
The InChIKey is OHBAWAXGKXWFAZ-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11;/h3-6,9H,7,12H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of (4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride?
(4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-3,4-dihydrochromen-4-amine;hydrochloride is sourced from PubChem (CID 155487266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).