N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine

C14H18ClNO2 — CID 116870658

IUPACN-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(C2(CNC3CC3)COC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-17-11-4-5-12(13(15)6-11)14(8-18-9-14)7-16-10-2-3-10/h4-6,10,16H,2-3,7-9H2,1H3
InChIKeyYXNLDWVCMGTCMJ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.37
Rot. Bonds5

About N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine

N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine (PubChem CID 116870658) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine
PubChem CID116870658
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(C2(CNC3CC3)COC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-17-11-4-5-12(13(15)6-11)14(8-18-9-14)7-16-10-2-3-10/h4-6,10,16H,2-3,7-9H2,1H3
InChIKeyYXNLDWVCMGTCMJ-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine
CID 116869379
3-(2-chloro-4-methoxyphenyl)oxetane-3-carboxylic acid
CID 116871779
[1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874743
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
N-[(2-chloro-4-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115206971
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
N-[[3-[(2-bromo-5-methoxyphenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 65326682
N-(2-chloro-5-methoxyphenyl)oxetan-3-amine
CID 63622923
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
N-(2-chloro-5-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969888
N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 82927332
N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595167

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine (CID 116870658) is N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine is COc1ccc(C2(CNC3CC3)COC2)c(Cl)c1.
What is the InChIKey of N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine?
The InChIKey is YXNLDWVCMGTCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-17-11-4-5-12(13(15)6-11)14(8-18-9-14)7-16-10-2-3-10/h4-6,10,16H,2-3,7-9H2,1H3.
What are the key properties of N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine?
N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine has a molecular weight of 267.76 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116870658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).