1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine

C14H20ClNO2 — CID 55131204

IUPAC1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc(OC)c(Cl)c1)C1CCOCC1
InChIInChI=1S/C14H20ClNO2/c1-16-14(10-5-7-18-8-6-10)11-3-4-13(17-2)12(15)9-11/h3-4,9-10,14,16H,5-8H2,1-2H3
InChIKeyZUIIAHNVLQZHBC-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.04
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine

1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 55131204) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID55131204
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc(OC)c(Cl)c1)C1CCOCC1
InChIInChI=1S/C14H20ClNO2/c1-16-14(10-5-7-18-8-6-10)11-3-4-13(17-2)12(15)9-11/h3-4,9-10,14,16H,5-8H2,1-2H3
InChIKeyZUIIAHNVLQZHBC-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131203
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330123
(3-chloro-4-methoxyphenyl)-(oxolan-3-yl)methanamine
CID 61270663
3-[bromo-(3-chloro-4-methoxyphenyl)methyl]oxolane
CID 61277302
1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine
CID 80604128
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55132757
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951150
1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907400
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907229
N-[(3-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 55131786
1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62587575
1-(3-iodophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115855997

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 55131204) is 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1ccc(OC)c(Cl)c1)C1CCOCC1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is ZUIIAHNVLQZHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16-14(10-5-7-18-8-6-10)11-3-4-13(17-2)12(15)9-11/h3-4,9-10,14,16H,5-8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 269.77 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 55131204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).