N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline

C17H26N2O — CID 43363279

IUPACN-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline
SMILESCC(Nc1ccc(CN2CCOCC2)cc1)C1(C)CC1
InChIInChI=1S/C17H26N2O/c1-14(17(2)7-8-17)18-16-5-3-15(4-6-16)13-19-9-11-20-12-10-19/h3-6,14,18H,7-13H2,1-2H3
InChIKeyTUUSPNZYMTWYLQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.12
Rot. Bonds5

About N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline

N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline (PubChem CID 43363279) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline
PubChem CID43363279
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline
SMILESCC(Nc1ccc(CN2CCOCC2)cc1)C1(C)CC1
InChIInChI=1S/C17H26N2O/c1-14(17(2)7-8-17)18-16-5-3-15(4-6-16)13-19-9-11-20-12-10-19/h3-6,14,18H,7-13H2,1-2H3
InChIKeyTUUSPNZYMTWYLQ-UHFFFAOYSA-N
XLogP3.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline (CID 43363279) is N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline is CC(Nc1ccc(CN2CCOCC2)cc1)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline?
The InChIKey is TUUSPNZYMTWYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(17(2)7-8-17)18-16-5-3-15(4-6-16)13-19-9-11-20-12-10-19/h3-6,14,18H,7-13H2,1-2H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline?
N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline has a molecular weight of 274.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 43363279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).