3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol

C14H21NO2 — CID 103785498

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC1Cc2ccccc2C1
InChIInChI=1S/C14H21NO2/c1-17-10-13(6-7-16)15-14-8-11-4-2-3-5-12(11)9-14/h2-5,13-16H,6-10H2,1H3
InChIKeyBHALWHOGULRPJW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.14
Rot. Bonds6

About 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol

3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol (PubChem CID 103785498) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol
PubChem CID103785498
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC1Cc2ccccc2C1
InChIInChI=1S/C14H21NO2/c1-17-10-13(6-7-16)15-14-8-11-4-2-3-5-12(11)9-14/h2-5,13-16H,6-10H2,1H3
InChIKeyBHALWHOGULRPJW-UHFFFAOYSA-N
XLogP1.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-1-ol
CID 103785520
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol
CID 103786504
3-(azetidin-3-ylamino)-4-methoxybutan-1-ol
CID 106156395
N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine
CID 104694875
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol
CID 106159943
4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 104530239
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxybutan-1-ol
CID 106156845
N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106160965
3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol
CID 106157338
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 104844749
(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol
CID 93026650

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol (CID 103785498) is 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol is COCC(CCO)NC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol?
The InChIKey is BHALWHOGULRPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-10-13(6-7-16)15-14-8-11-4-2-3-5-12(11)9-14/h2-5,13-16H,6-10H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol?
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol is sourced from PubChem (CID 103785498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).