2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol

C15H23NO — CID 115251818

IUPAC2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CNc1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO/c1-11(2)14(10-17)9-16-15-7-6-12-4-3-5-13(12)8-15/h6-8,11,14,16-17H,3-5,9-10H2,1-2H3
InChIKeyLCENVPGOPPRJNP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.85
Rot. Bonds5

About 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol

2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol (PubChem CID 115251818) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
PubChem CID115251818
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CNc1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO/c1-11(2)14(10-17)9-16-15-7-6-12-4-3-5-13(12)8-15/h6-8,11,14,16-17H,3-5,9-10H2,1-2H3
InChIKeyLCENVPGOPPRJNP-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dihydro-2H-chromen-6-ylamino)methyl]-3-methylbutan-1-ol
CID 115251865
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074
2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115198218
3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid
CID 115255887
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 115202278
1-(diethylamino)-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898879
2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol
CID 21470445
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol
CID 60896402
N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 43560294

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol (CID 115251818) is 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol is CC(C)C(CO)CNc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol?
The InChIKey is LCENVPGOPPRJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)14(10-17)9-16-15-7-6-12-4-3-5-13(12)8-15/h6-8,11,14,16-17H,3-5,9-10H2,1-2H3.
What are the key properties of 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol?
2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115251818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).