(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol

C16H25NO2 — CID 81142918

IUPAC(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C16H25NO2/c1-11(2)14(10-18)17-13-9-16(3,4)19-15-8-6-5-7-12(13)15/h5-8,11,13-14,17-18H,9-10H2,1-4H3/t13?,14-/m1/s1
InChIKeyVGLPURFUIJTSDZ-ARLHGKGLSA-N
MW263.38 g/mol
LogP2.90
Rot. Bonds4

About (2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 81142918) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol
PubChem CID81142918
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C16H25NO2/c1-11(2)14(10-18)17-13-9-16(3,4)19-15-8-6-5-7-12(13)15/h5-8,11,13-14,17-18H,9-10H2,1-4H3/t13?,14-/m1/s1
InChIKeyVGLPURFUIJTSDZ-ARLHGKGLSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
CID 81136488
3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol
CID 81338296
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015
2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81140827
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 106281899
2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
CID 81139220
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 103905314
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 124743503
(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide
CID 119797980
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
CID 120563166

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol (CID 81142918) is (2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)NC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of (2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is VGLPURFUIJTSDZ-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)14(10-18)17-13-9-16(3,4)19-15-8-6-5-7-12(13)15/h5-8,11,13-14,17-18H,9-10H2,1-4H3/t13?,14-/m1/s1.
What are the key properties of (2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 81142918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).