N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine

C17H28N2O — CID 62413212

IUPACN-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine
SMILESCNCc1ccc(OCCN(CC2CC2)C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)19(13-16-4-5-16)10-11-20-17-8-6-15(7-9-17)12-18-3/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyLFAFRHWDTKRADM-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.91
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine

N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine (PubChem CID 62413212) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine
PubChem CID62413212
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine
SMILESCNCc1ccc(OCCN(CC2CC2)C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)19(13-16-4-5-16)10-11-20-17-8-6-15(7-9-17)12-18-3/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyLFAFRHWDTKRADM-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine (CID 62413212) is N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine is CNCc1ccc(OCCN(CC2CC2)C(C)C)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine?
The InChIKey is LFAFRHWDTKRADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)19(13-16-4-5-16)10-11-20-17-8-6-15(7-9-17)12-18-3/h6-9,14,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine?
N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine is sourced from PubChem (CID 62413212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).