3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine

C15H22ClNO — CID 114631848

IUPAC3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine
SMILESCC1(C)C(Cl)CC1NCCCOc1ccccc1
InChIInChI=1S/C15H22ClNO/c1-15(2)13(16)11-14(15)17-9-6-10-18-12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,6,9-11H2,1-2H3
InChIKeyPSYKOVLYIGRNFC-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.45
Rot. Bonds6

About 3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine

3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine (PubChem CID 114631848) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine
PubChem CID114631848
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine
SMILESCC1(C)C(Cl)CC1NCCCOc1ccccc1
InChIInChI=1S/C15H22ClNO/c1-15(2)13(16)11-14(15)17-9-6-10-18-12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,6,9-11H2,1-2H3
InChIKeyPSYKOVLYIGRNFC-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine
CID 62936608
2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 106662463
3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
CID 65294383
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 79357947
N-[(3-chlorocyclobutyl)methyl]-3-phenoxypropan-1-amine
CID 66005855
N-methyl-3-phenoxypropan-1-amine
CID 22067856
3-(3-phenoxypropylamino)pyrrolidine-2,5-dione
CID 62380034
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 114631990
N-(3-phenoxypropyl)oxolan-3-amine
CID 63335382
1-(chloromethyl)-4-methyl-N-(3-phenoxypropyl)cyclohexan-1-amine
CID 65030424

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine (CID 114631848) is 3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine is CC1(C)C(Cl)CC1NCCCOc1ccccc1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine?
The InChIKey is PSYKOVLYIGRNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-15(2)13(16)11-14(15)17-9-6-10-18-12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,6,9-11H2,1-2H3.
What are the key properties of 3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine?
3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine is sourced from PubChem (CID 114631848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).