(4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine

C15H21NO — CID 104945926

IUPAC(4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine
SMILESCC1(CC2CCC2)C[C@H](N)c2ccccc2O1
InChIInChI=1S/C15H21NO/c1-15(9-11-5-4-6-11)10-13(16)12-7-2-3-8-14(12)17-15/h2-3,7-8,11,13H,4-6,9-10,16H2,1H3/t13-,15?/m0/s1
InChIKeyUGBBPFSDCURJSH-CFMCSPIPSA-N
MW231.34 g/mol
LogP3.42
Rot. Bonds2

About (4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine

(4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 104945926) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID104945926
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine
SMILESCC1(CC2CCC2)C[C@H](N)c2ccccc2O1
InChIInChI=1S/C15H21NO/c1-15(9-11-5-4-6-11)10-13(16)12-7-2-3-8-14(12)17-15/h2-3,7-8,11,13H,4-6,9-10,16H2,1H3/t13-,15?/m0/s1
InChIKeyUGBBPFSDCURJSH-CFMCSPIPSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine (CID 104945926) is (4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine is CC1(CC2CCC2)C[C@H](N)c2ccccc2O1.
What is the InChIKey of (4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is UGBBPFSDCURJSH-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(9-11-5-4-6-11)10-13(16)12-7-2-3-8-14(12)17-15/h2-3,7-8,11,13H,4-6,9-10,16H2,1H3/t13-,15?/m0/s1.
What are the key properties of (4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine?
(4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 231.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 104945926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).