N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C17H25NO — CID 62385341

IUPACN-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1CC1CCOCC1
InChIInChI=1S/C17H25NO/c1-2-18-17-15(11-13-7-9-19-10-8-13)12-14-5-3-4-6-16(14)17/h3-6,13,15,17-18H,2,7-12H2,1H3
InChIKeyJJMKSKLTNLLEGQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.33
Rot. Bonds4

About N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine

N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 62385341) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID62385341
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1CC1CCOCC1
InChIInChI=1S/C17H25NO/c1-2-18-17-15(11-13-7-9-19-10-8-13)12-14-5-3-4-6-16(14)17/h3-6,13,15,17-18H,2,7-12H2,1H3
InChIKeyJJMKSKLTNLLEGQ-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62385719
N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
CID 62384262
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63725634
3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79736974
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 64984307
N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 66391699
2-(cyclopentylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403595
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62917722
6-butyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403512
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63773845

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 62385341) is N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine is CCNC1c2ccccc2CC1CC1CCOCC1.
What is the InChIKey of N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JJMKSKLTNLLEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-18-17-15(11-13-7-9-19-10-8-13)12-14-5-3-4-6-16(14)17/h3-6,13,15,17-18H,2,7-12H2,1H3.
What are the key properties of N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxan-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 62385341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).