N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine

C16H26N2O — CID 43542240

IUPACN-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1N1CCOCC1C
InChIInChI=1S/C16H26N2O/c1-4-9-17-14(3)15-7-5-6-8-16(15)18-10-11-19-12-13(18)2/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyTXFFKTGIEJPPCN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.97
Rot. Bonds5

About N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine

N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine (PubChem CID 43542240) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
PubChem CID43542240
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1N1CCOCC1C
InChIInChI=1S/C16H26N2O/c1-4-9-17-14(3)15-7-5-6-8-16(15)18-10-11-19-12-13(18)2/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyTXFFKTGIEJPPCN-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine (CID 43542240) is N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1N1CCOCC1C.
What is the InChIKey of N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is TXFFKTGIEJPPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-9-17-14(3)15-7-5-6-8-16(15)18-10-11-19-12-13(18)2/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43542240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).