N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine

C14H23NO2 — CID 83175844

IUPACN-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)C1CCOCC1
InChIInChI=1S/C14H23NO2/c1-2-6-15-14(10-12-3-7-17-11-12)13-4-8-16-9-5-13/h3,7,11,13-15H,2,4-6,8-10H2,1H3
InChIKeyKMNZWJNPDDITOD-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.62
Rot. Bonds6

About N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine

N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine (PubChem CID 83175844) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
PubChem CID83175844
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)C1CCOCC1
InChIInChI=1S/C14H23NO2/c1-2-6-15-14(10-12-3-7-17-11-12)13-4-8-16-9-5-13/h3,7,11,13-15H,2,4-6,8-10H2,1H3
InChIKeyKMNZWJNPDDITOD-UHFFFAOYSA-N
XLogP2.62
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-3-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 83175448
N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105177672
N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 65479183
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62907601
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 83182561
N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 63936289
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175651
N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 79748470
N-[2-(2-chloro-5-fluorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 102618966

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine (CID 83175844) is N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)C1CCOCC1.
What is the InChIKey of N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The InChIKey is KMNZWJNPDDITOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-6-15-14(10-12-3-7-17-11-12)13-4-8-16-9-5-13/h3,7,11,13-15H,2,4-6,8-10H2,1H3.
What are the key properties of N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine?
N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 83175844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).