1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine

C14H19ClN2O — CID 117420865

IUPAC1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine
SMILESNC1(c2ccc(N3CCOCC3)c(Cl)c2)CCC1
InChIInChI=1S/C14H19ClN2O/c15-12-10-11(14(16)4-1-5-14)2-3-13(12)17-6-8-18-9-7-17/h2-3,10H,1,4-9,16H2
InChIKeyYAURVEBGNHPFQB-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.51
Rot. Bonds2

About 1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine

1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine (PubChem CID 117420865) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine
PubChem CID117420865
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine
SMILESNC1(c2ccc(N3CCOCC3)c(Cl)c2)CCC1
InChIInChI=1S/C14H19ClN2O/c15-12-10-11(14(16)4-1-5-14)2-3-13(12)17-6-8-18-9-7-17/h2-3,10H,1,4-9,16H2
InChIKeyYAURVEBGNHPFQB-UHFFFAOYSA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine
CID 117447117
1-(3-bromo-4-morpholin-4-ylphenyl)cyclobutan-1-amine
CID 117496105
1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine
CID 117368710
[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine
CID 117416314
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
1-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropan-1-ol
CID 117423222
5-chloro-2-(1,4-oxazepan-4-yl)aniline
CID 62987959
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine
CID 91674817
1-(3-fluoro-4-piperidin-1-ylphenyl)cyclopropan-1-amine
CID 84797023
N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 3863811

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine (CID 117420865) is 1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine is NC1(c2ccc(N3CCOCC3)c(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine?
The InChIKey is YAURVEBGNHPFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-12-10-11(14(16)4-1-5-14)2-3-13(12)17-6-8-18-9-7-17/h2-3,10H,1,4-9,16H2.
What are the key properties of 1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine?
1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine has a molecular weight of 266.77 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117420865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).