1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine

C14H20ClNO — CID 106864784

IUPAC1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(OCc2ccc(C)cc2Cl)C1
InChIInChI=1S/C14H20ClNO/c1-10-3-4-12(14(15)5-10)9-17-13-6-11(7-13)8-16-2/h3-5,11,13,16H,6-9H2,1-2H3
InChIKeyZHDMQWRGIJPMHF-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.16
Rot. Bonds5

About 1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine

1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine (PubChem CID 106864784) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine
PubChem CID106864784
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(OCc2ccc(C)cc2Cl)C1
InChIInChI=1S/C14H20ClNO/c1-10-3-4-12(14(15)5-10)9-17-13-6-11(7-13)8-16-2/h3-5,11,13,16H,6-9H2,1-2H3
InChIKeyZHDMQWRGIJPMHF-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-[(5-methyl-3-pyridinyl)methoxy]cyclobutyl]methanamine
CID 102877286
1-[3,5-dibromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741724
N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine
CID 106862669
2-(2-chloro-4-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 106866952
1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 106861886
3-[(4-bromo-2-chlorophenyl)methoxy]oxetane
CID 102607207
4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol
CID 106863298
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol
CID 106869305
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N'-[(2-chloro-4-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 106861235
3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine
CID 53089870
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine (CID 106864784) is 1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine is CNCC1CC(OCc2ccc(C)cc2Cl)C1.
What is the InChIKey of 1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine?
The InChIKey is ZHDMQWRGIJPMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-3-4-12(14(15)5-10)9-17-13-6-11(7-13)8-16-2/h3-5,11,13,16H,6-9H2,1-2H3.
What are the key properties of 1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine?
1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine has a molecular weight of 253.77 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chloro-4-methylphenyl)methoxy]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 106864784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).