N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine

C17H28N2O — CID 62422023

IUPACN-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine
SMILESCCN(CCOc1ccc(CNC(C)C)cc1)C1CC1
InChIInChI=1S/C17H28N2O/c1-4-19(16-7-8-16)11-12-20-17-9-5-15(6-10-17)13-18-14(2)3/h5-6,9-10,14,16,18H,4,7-8,11-13H2,1-3H3
InChIKeyDWNIYTDCEYXHLI-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds9

About N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine

N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine (PubChem CID 62422023) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine
PubChem CID62422023
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine
SMILESCCN(CCOc1ccc(CNC(C)C)cc1)C1CC1
InChIInChI=1S/C17H28N2O/c1-4-19(16-7-8-16)11-12-20-17-9-5-15(6-10-17)13-18-14(2)3/h5-6,9-10,14,16,18H,4,7-8,11-13H2,1-3H3
InChIKeyDWNIYTDCEYXHLI-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine
CID 63966983
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile
CID 43541120
N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine
CID 115987764
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63573866
N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106721971
(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81391494
(1R)-1-cyclopentyl-N-[(4-pentoxyphenyl)methyl]ethanamine
CID 81389966
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
CID 62418135
N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
CID 54971490
N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 62413212
N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740645

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine (CID 62422023) is N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine is CCN(CCOc1ccc(CNC(C)C)cc1)C1CC1.
What is the InChIKey of N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine?
The InChIKey is DWNIYTDCEYXHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19(16-7-8-16)11-12-20-17-9-5-15(6-10-17)13-18-14(2)3/h5-6,9-10,14,16,18H,4,7-8,11-13H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine?
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine is sourced from PubChem (CID 62422023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).