N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine

C15H22ClNO3 — CID 104928154

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2c(Cl)cccc2OC)C1OC
InChIInChI=1S/C15H22ClNO3/c1-4-20-14-8-12(15(14)19-3)17-9-10-11(16)6-5-7-13(10)18-2/h5-7,12,14-15,17H,4,8-9H2,1-3H3
InChIKeyQNIZSFRBIWXFIS-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.63
Rot. Bonds7

About N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine (PubChem CID 104928154) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine
PubChem CID104928154
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2c(Cl)cccc2OC)C1OC
InChIInChI=1S/C15H22ClNO3/c1-4-20-14-8-12(15(14)19-3)17-9-10-11(16)6-5-7-13(10)18-2/h5-7,12,14-15,17H,4,8-9H2,1-3H3
InChIKeyQNIZSFRBIWXFIS-UHFFFAOYSA-N
XLogP2.63
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104815987
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562453
N-[(2-chloro-6-methoxyphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 103292030
N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103291927
N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine
CID 103292227
N-[(2-chloro-6-methoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 104815757
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935
1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 103291925
N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104816053
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 115641852
N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine
CID 103897258

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine (CID 104928154) is N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine is CCOC1CC(NCc2c(Cl)cccc2OC)C1OC.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine?
The InChIKey is QNIZSFRBIWXFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-4-20-14-8-12(15(14)19-3)17-9-10-11(16)6-5-7-13(10)18-2/h5-7,12,14-15,17H,4,8-9H2,1-3H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine has a molecular weight of 299.80 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethoxy-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 104928154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).