3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine

C14H21NO — CID 117313271

IUPAC3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine
SMILESCOc1c(C(C)CCN)ccc2c1CCC2
InChIInChI=1S/C14H21NO/c1-10(8-9-15)12-7-6-11-4-3-5-13(11)14(12)16-2/h6-7,10H,3-5,8-9,15H2,1-2H3
InChIKeySEXMYUHAGDAPQJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.64
Rot. Bonds4

About 3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine

3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine (PubChem CID 117313271) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine
PubChem CID117313271
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine
SMILESCOc1c(C(C)CCN)ccc2c1CCC2
InChIInChI=1S/C14H21NO/c1-10(8-9-15)12-7-6-11-4-3-5-13(11)14(12)16-2/h6-7,10H,3-5,8-9,15H2,1-2H3
InChIKeySEXMYUHAGDAPQJ-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 117314688
2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 117282550
1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine
CID 117366115
3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
CID 117386607
3-(2-chloro-3-methoxy-4-methylphenyl)butan-1-amine
CID 117328027
3-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]butan-1-amine
CID 117444021
3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294953
2-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 117295060
6-(4-aminobutan-2-yl)-2-bromo-3,4-dimethoxyphenol
CID 117489376
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733
3-(5-chloro-2,4-dimethoxy-3-methylphenyl)butan-1-amine
CID 117398173
6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
CID 84794194

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine?
The IUPAC name of 3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine (CID 117313271) is 3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine.
What is the SMILES notation for 3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine?
The canonical SMILES for 3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine is COc1c(C(C)CCN)ccc2c1CCC2.
What is the InChIKey of 3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine?
The InChIKey is SEXMYUHAGDAPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(8-9-15)12-7-6-11-4-3-5-13(11)14(12)16-2/h6-7,10H,3-5,8-9,15H2,1-2H3.
What are the key properties of 3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine?
3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine is sourced from PubChem (CID 117313271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).