N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine

C17H26N2O — CID 115463473

IUPACN-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine
SMILESCC1CN(Cc2ccccc2CCNC2CC2)CCO1
InChIInChI=1S/C17H26N2O/c1-14-12-19(10-11-20-14)13-16-5-3-2-4-15(16)8-9-18-17-6-7-17/h2-5,14,17-18H,6-13H2,1H3
InChIKeyCSPZLCKFYICKAA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.20
Rot. Bonds6

About N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine

N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 115463473) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine
PubChem CID115463473
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine
SMILESCC1CN(Cc2ccccc2CCNC2CC2)CCO1
InChIInChI=1S/C17H26N2O/c1-14-12-19(10-11-20-14)13-16-5-3-2-4-15(16)8-9-18-17-6-7-17/h2-5,14,17-18H,6-13H2,1H3
InChIKeyCSPZLCKFYICKAA-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine (CID 115463473) is N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine is CC1CN(Cc2ccccc2CCNC2CC2)CCO1.
What is the InChIKey of N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is CSPZLCKFYICKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-12-19(10-11-20-14)13-16-5-3-2-4-15(16)8-9-18-17-6-7-17/h2-5,14,17-18H,6-13H2,1H3.
What are the key properties of N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 115463473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).