4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol

C16H25NO2 — CID 106245547

IUPAC4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC1c2ccccc2CC1(C)C
InChIInChI=1S/C16H25NO2/c1-16(2)10-12-6-4-5-7-14(12)15(16)17-9-8-13(18)11-19-3/h4-7,13,15,17-18H,8-11H2,1-3H3
InChIKeyHURHSLONMGFYAV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.30
Rot. Bonds6

About 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol

4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol (PubChem CID 106245547) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol
PubChem CID106245547
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC1c2ccccc2CC1(C)C
InChIInChI=1S/C16H25NO2/c1-16(2)10-12-6-4-5-7-14(12)15(16)17-9-8-13(18)11-19-3/h4-7,13,15,17-18H,8-11H2,1-3H3
InChIKeyHURHSLONMGFYAV-UHFFFAOYSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821247
N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82814694
2,2-dimethyl-N-(2-phenylethyl)-1,3-dihydroinden-1-amine
CID 82820863
1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103905995
4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
CID 113329803
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040884
N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821151
2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine
CID 82814406
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113450019
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide
CID 82821829
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol
CID 83177492
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-methoxybutan-2-ol
CID 106246464

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol (CID 106245547) is 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol is COCC(O)CCNC1c2ccccc2CC1(C)C.
What is the InChIKey of 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is HURHSLONMGFYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2)10-12-6-4-5-7-14(12)15(16)17-9-8-13(18)11-19-3/h4-7,13,15,17-18H,8-11H2,1-3H3.
What are the key properties of 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol?
4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106245547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).