1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine

C16H23ClN2O — CID 106818605

IUPAC1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
SMILESCNCC1OCCN(C2CC2)C1c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-11-3-4-12(9-14(11)17)16-15(10-18-2)20-8-7-19(16)13-5-6-13/h3-4,9,13,15-16,18H,5-8,10H2,1-2H3
InChIKeyHAGXMKZOLBGFJE-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.77
Rot. Bonds4

About 1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine

1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine (PubChem CID 106818605) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
PubChem CID106818605
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
SMILESCNCC1OCCN(C2CC2)C1c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-11-3-4-12(9-14(11)17)16-15(10-18-2)20-8-7-19(16)13-5-6-13/h3-4,9,13,15-16,18H,5-8,10H2,1-2H3
InChIKeyHAGXMKZOLBGFJE-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-cyclopropyl-3-(2-ethylpyrazol-3-yl)morpholin-2-yl]-N-methylmethanamine
CID 114557732
1-[4-cyclopropyl-3-(1,5-dimethylpyrazol-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 79583955
1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
CID 106889429
[2-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 106818587
1-[4-cyclopropyl-3-(3-cyclopropylimidazol-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 66162950
N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 81160749
1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine
CID 65021410
1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine
CID 106818565
1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine
CID 114866612
N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 65021885
[3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
CID 114454774
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine (CID 106818605) is 1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine is CNCC1OCCN(C2CC2)C1c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine?
The InChIKey is HAGXMKZOLBGFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-3-4-12(9-14(11)17)16-15(10-18-2)20-8-7-19(16)13-5-6-13/h3-4,9,13,15-16,18H,5-8,10H2,1-2H3.
What are the key properties of 1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine?
1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine has a molecular weight of 294.83 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106818605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).