N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine

C18H27NO — CID 65328765

IUPACN-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc2c(c1)CCC2)C1CCCO1
InChIInChI=1S/C18H27NO/c1-2-10-19-17(18-7-4-11-20-18)13-14-8-9-15-5-3-6-16(15)12-14/h8-9,12,17-19H,2-7,10-11,13H2,1H3
InChIKeyDUBAXCUVJZJJIF-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.27
Rot. Bonds6

About N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine

N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine (PubChem CID 65328765) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
PubChem CID65328765
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc2c(c1)CCC2)C1CCCO1
InChIInChI=1S/C18H27NO/c1-2-10-19-17(18-7-4-11-20-18)13-14-8-9-15-5-3-6-16(15)12-14/h8-9,12,17-19H,2-7,10-11,13H2,1H3
InChIKeyDUBAXCUVJZJJIF-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328260
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439
2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328912
N-[2-(5-bromo-2-pyridinyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105036459
N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328369
N-[2-(2-bromo-4-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843320
(1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine
CID 125486090
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
3-ethyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 82923076

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine (CID 65328765) is N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc2c(c1)CCC2)C1CCCO1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is DUBAXCUVJZJJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-10-19-17(18-7-4-11-20-18)13-14-8-9-15-5-3-6-16(15)12-14/h8-9,12,17-19H,2-7,10-11,13H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine?
N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65328765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).