1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol

C18H27NO2 — CID 110010370

IUPAC1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESCc1ccc2c(c1)C(NCC(O)COCC1CC1)C(C)C2
InChIInChI=1S/C18H27NO2/c1-12-3-6-15-8-13(2)18(17(15)7-12)19-9-16(20)11-21-10-14-4-5-14/h3,6-7,13-14,16,18-20H,4-5,8-11H2,1-2H3
InChIKeyRAUGGWVVFBXZCN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.61
Rot. Bonds7

About 1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol

1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (PubChem CID 110010370) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
PubChem CID110010370
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESCc1ccc2c(c1)C(NCC(O)COCC1CC1)C(C)C2
InChIInChI=1S/C18H27NO2/c1-12-3-6-15-8-13(2)18(17(15)7-12)19-9-16(20)11-21-10-14-4-5-14/h3,6-7,13-14,16,18-20H,4-5,8-11H2,1-2H3
InChIKeyRAUGGWVVFBXZCN-UHFFFAOYSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol with MolForge

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Related Compounds

(2R)-2-(9H-fluoren-2-ylmethylamino)butan-1-ol
CID 57328257
1-(cyclopropylmethoxy)-3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 75427811
1-(Cyclopropylmethoxy)-3-[1-(3-fluoro-4-methylphenyl)ethylamino]propan-2-ol
CID 80290714
1-Cyclopentyloxy-3-[1-(3-fluoro-4-methylphenyl)ethylamino]propan-2-ol
CID 80297631
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol
CID 81338280
(2S)-1-(cyclopropylmethoxy)-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97231141
(2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97231142
(2R)-1-(cyclopropylmethoxy)-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97231143
(2R)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97231144
4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-methoxybutan-2-ol
CID 103906153
(2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906465
(2R)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906800

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (CID 110010370) is 1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is Cc1ccc2c(c1)C(NCC(O)COCC1CC1)C(C)C2.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The InChIKey is RAUGGWVVFBXZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-3-6-15-8-13(2)18(17(15)7-12)19-9-16(20)11-21-10-14-4-5-14/h3,6-7,13-14,16,18-20H,4-5,8-11H2,1-2H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol has a molecular weight of 289.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is sourced from PubChem (CID 110010370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).