1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine

C15H23ClN2O — CID 43195497

IUPAC1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
SMILESCCC(NCCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-2-15(13-3-5-14(16)6-4-13)17-7-8-18-9-11-19-12-10-18/h3-6,15,17H,2,7-12H2,1H3
InChIKeyRJNNFIXUNWEXPT-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.71
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine

1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine (PubChem CID 43195497) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
PubChem CID43195497
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
SMILESCCC(NCCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-2-15(13-3-5-14(16)6-4-13)17-7-8-18-9-11-19-12-10-18/h3-6,15,17H,2,7-12H2,1H3
InChIKeyRJNNFIXUNWEXPT-UHFFFAOYSA-N
XLogP2.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195499
1-(4-chlorophenyl)-3-(1,4-oxazepan-4-yl)-N-propylpropan-1-amine
CID 62972105
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
CID 63454308
N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 60888208
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919
1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60923581
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 54951481
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60924589
1-(4-fluorophenyl)-3-morpholin-4-yl-N-propylpropan-1-amine
CID 62643389
1-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43079142

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine (CID 43195497) is 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine is CCC(NCCN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine?
The InChIKey is RJNNFIXUNWEXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-15(13-3-5-14(16)6-4-13)17-7-8-18-9-11-19-12-10-18/h3-6,15,17H,2,7-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine?
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine has a molecular weight of 282.81 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 43195497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).