N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine

C17H25NO2 — CID 164638039

IUPACN-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine
SMILESCOCC(C)(C)CN[C@@H](C)C1=Cc2ccccc2OC1
InChIInChI=1S/C17H25NO2/c1-13(18-11-17(2,3)12-19-4)15-9-14-7-5-6-8-16(14)20-10-15/h5-9,13,18H,10-12H2,1-4H3/t13-/m0/s1
InChIKeyFNRVHXVELRPWNI-ZDUSSCGKSA-N
MW275.39 g/mol
LogP3.11
Rot. Bonds6

About N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine

N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine (PubChem CID 164638039) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine
PubChem CID164638039
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine
SMILESCOCC(C)(C)CN[C@@H](C)C1=Cc2ccccc2OC1
InChIInChI=1S/C17H25NO2/c1-13(18-11-17(2,3)12-19-4)15-9-14-7-5-6-8-16(14)20-10-15/h5-9,13,18H,10-12H2,1-4H3/t13-/m0/s1
InChIKeyFNRVHXVELRPWNI-ZDUSSCGKSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2H-chromen-3-yl)ethanol
CID 11389708
N-(3-hydroxy-2,2,4-trimethylpentyl)-2H-chromene-3-carboxamide
CID 109381132
N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide
CID 111520105
1-(2H-chromen-3-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 54358620
1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride
CID 115605418
methyl 2-(2H-chromene-3-carbonylamino)-3-methylbutanoate
CID 75856990
3-[5-(1-benzofuran-5-yl)hexan-2-yl]-2H-chromene
CID 166752674
3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene
CID 101244851
4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
CID 104628706
N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine
CID 103464764
3-(2H-chromene-3-carbonylamino)butanoic acid
CID 119220849
(2R)-2-amino-N-(3-methoxy-2,2-dimethylpropyl)-2-phenylacetamide
CID 56861248

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine (CID 164638039) is N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine is COCC(C)(C)CN[C@@H](C)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine?
The InChIKey is FNRVHXVELRPWNI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(18-11-17(2,3)12-19-4)15-9-14-7-5-6-8-16(14)20-10-15/h5-9,13,18H,10-12H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine?
N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2H-chromen-3-yl)ethyl]-3-methoxy-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 164638039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).