(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone

C14H18ClNO2 — CID 116917722

IUPAC(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)C1CC(N)C1
InChIInChI=1S/C14H18ClNO2/c1-7-4-11(18-3)12(8(2)13(7)15)14(17)9-5-10(16)6-9/h4,9-10H,5-6,16H2,1-3H3
InChIKeyOHCQUYSKLYEJLE-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.89
Rot. Bonds3

About (3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone

(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone (PubChem CID 116917722) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone
PubChem CID116917722
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)C1CC(N)C1
InChIInChI=1S/C14H18ClNO2/c1-7-4-11(18-3)12(8(2)13(7)15)14(17)9-5-10(16)6-9/h4,9-10H,5-6,16H2,1-3H3
InChIKeyOHCQUYSKLYEJLE-UHFFFAOYSA-N
XLogP2.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone
CID 116917786
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
CID 116917726
3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide
CID 116846890
(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone
CID 82553178
1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 110763028
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663
3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide
CID 115161356
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)prop-2-enoic acid
CID 82292853
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763029
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193413

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone (CID 116917722) is (3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone is COc1cc(C)c(Cl)c(C)c1C(=O)C1CC(N)C1.
What is the InChIKey of (3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone?
The InChIKey is OHCQUYSKLYEJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-7-4-11(18-3)12(8(2)13(7)15)14(17)9-5-10(16)6-9/h4,9-10H,5-6,16H2,1-3H3.
What are the key properties of (3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone?
(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone is sourced from PubChem (CID 116917722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).