1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine

C11H13Cl2N — CID 65317862

IUPAC1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine
SMILESNC1(Cc2cc(Cl)ccc2Cl)CCC1
InChIInChI=1S/C11H13Cl2N/c12-9-2-3-10(13)8(6-9)7-11(14)4-1-5-11/h2-3,6H,1,4-5,7,14H2
InChIKeyMMYRDHAFBRQDDY-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.42
Rot. Bonds2

About 1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine

1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine (PubChem CID 65317862) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine
PubChem CID65317862
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine
SMILESNC1(Cc2cc(Cl)ccc2Cl)CCC1
InChIInChI=1S/C11H13Cl2N/c12-9-2-3-10(13)8(6-9)7-11(14)4-1-5-11/h2-3,6H,1,4-5,7,14H2
InChIKeyMMYRDHAFBRQDDY-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 65317057
3-[(2,5-dichlorophenyl)methyl]oxan-3-amine
CID 65317527
1-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65316535
3-[(2,5-dichlorophenyl)methyl]-1,1-dioxothiolan-3-amine
CID 115338085
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65318007
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
1-[(2-chloro-5-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 102617560
1-[(2,5-dichlorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 171613045
1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
CID 106870484
1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116550553
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine (CID 65317862) is 1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine is NC1(Cc2cc(Cl)ccc2Cl)CCC1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine?
The InChIKey is MMYRDHAFBRQDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c12-9-2-3-10(13)8(6-9)7-11(14)4-1-5-11/h2-3,6H,1,4-5,7,14H2.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine?
1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine has a molecular weight of 230.14 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 65317862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).