1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine

C13H18ClNO — CID 116929052

IUPAC1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C13H18ClNO/c1-15-9-13(5-6-13)8-10-3-4-12(16-2)11(14)7-10/h3-4,7,15H,5-6,8-9H2,1-2H3
InChIKeyFISIPLGKCWZMOM-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.89
Rot. Bonds5

About 1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine

1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine (PubChem CID 116929052) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
PubChem CID116929052
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C13H18ClNO/c1-15-9-13(5-6-13)8-10-3-4-12(16-2)11(14)7-10/h3-4,7,15H,5-6,8-9H2,1-2H3
InChIKeyFISIPLGKCWZMOM-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
2-[1-[2-(3-chloro-4-methoxyphenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65303673
1-[1-[(2-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66025080
1-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 116929141
1-[3-[(5-chloro-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 55111253
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806
2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244866
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine
CID 113321768
2-chloro-4-(3-chloropropyl)-1-methoxybenzene
CID 83800842
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine (CID 116929052) is 1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine is CNCC1(Cc2ccc(OC)c(Cl)c2)CC1.
What is the InChIKey of 1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine?
The InChIKey is FISIPLGKCWZMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15-9-13(5-6-13)8-10-3-4-12(16-2)11(14)7-10/h3-4,7,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine?
1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine has a molecular weight of 239.75 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116929052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).