2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine

C14H20ClNO2 — CID 117428032

IUPAC2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine
SMILESCNCCc1cc(Cl)c(OC)c(OCC2CC2)c1
InChIInChI=1S/C14H20ClNO2/c1-16-6-5-11-7-12(15)14(17-2)13(8-11)18-9-10-3-4-10/h7-8,10,16H,3-6,9H2,1-2H3
InChIKeyFXXGZSOPJPLEOW-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.90
Rot. Bonds7

About 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine

2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine (PubChem CID 117428032) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine
PubChem CID117428032
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine
SMILESCNCCc1cc(Cl)c(OC)c(OCC2CC2)c1
InChIInChI=1S/C14H20ClNO2/c1-16-6-5-11-7-12(15)14(17-2)13(8-11)18-9-10-3-4-10/h7-8,10,16H,3-6,9H2,1-2H3
InChIKeyFXXGZSOPJPLEOW-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494502
3-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-2,2-dimethylpropanoic acid
CID 117497807
3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494517
2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine
CID 82550874
N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062164
2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 117422639
2-[3-bromo-5-(cyclopropylmethoxy)-4-methoxyphenyl]ethanamine
CID 117483419
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopentan-1-amine
CID 117476556
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine
CID 117494486
2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid
CID 117458340
5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63536015
5-(bromomethyl)-1-chloro-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65456921

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine (CID 117428032) is 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine is CNCCc1cc(Cl)c(OC)c(OCC2CC2)c1.
What is the InChIKey of 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine?
The InChIKey is FXXGZSOPJPLEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16-6-5-11-7-12(15)14(17-2)13(8-11)18-9-10-3-4-10/h7-8,10,16H,3-6,9H2,1-2H3.
What are the key properties of 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine?
2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine has a molecular weight of 269.77 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 117428032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).