1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine

C14H21ClN2O — CID 62643785

IUPAC1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
SMILESCC1COCCN1CCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-11-10-18-9-8-17(11)7-6-14(16)12-2-4-13(15)5-3-12/h2-5,11,14H,6-10,16H2,1H3
InChIKeyYDJUGLJPJMAGPN-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.45
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine

1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine (PubChem CID 62643785) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
PubChem CID62643785
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
SMILESCC1COCCN1CCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-11-10-18-9-8-17(11)7-6-14(16)12-2-4-13(15)5-3-12/h2-5,11,14H,6-10,16H2,1H3
InChIKeyYDJUGLJPJMAGPN-UHFFFAOYSA-N
XLogP2.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 62628763
1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62629586
1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine
CID 79184683
(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
CID 59376141
2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine
CID 43542037
methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate
CID 63029800
1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62619080
1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine
CID 62644602
3-(3-methylmorpholin-4-yl)propan-1-amine
CID 43541798
1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62644652
1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 55099044
1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine
CID 55159528

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine (CID 62643785) is 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine is CC1COCCN1CCC(N)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine?
The InChIKey is YDJUGLJPJMAGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11-10-18-9-8-17(11)7-6-14(16)12-2-4-13(15)5-3-12/h2-5,11,14H,6-10,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine?
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine has a molecular weight of 268.79 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 62643785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).