3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine

C16H24BrNO — CID 43634794

IUPAC3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
SMILESCC(C)OCCCNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C16H24BrNO/c1-12(2)19-8-4-7-18-16-10-14(11-16)13-5-3-6-15(17)9-13/h3,5-6,9,12,14,16,18H,4,7-8,10-11H2,1-2H3
InChIKeyATYBDCKBLCBALF-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.10
Rot. Bonds7

About 3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine

3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine (PubChem CID 43634794) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
PubChem CID43634794
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
SMILESCC(C)OCCCNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C16H24BrNO/c1-12(2)19-8-4-7-18-16-10-14(11-16)13-5-3-6-15(17)9-13/h3,5-6,9,12,14,16,18H,4,7-8,10-11H2,1-2H3
InChIKeyATYBDCKBLCBALF-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634799
3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine
CID 104530614
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
ethyl 4-[[3-(3-bromophenyl)cyclobutyl]amino]butanoate
CID 64580836
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
3-(3-bromophenyl)-N-(2-but-3-enoxyethyl)cyclobutan-1-amine
CID 106704280
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
3-(3-bromophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 64602754
3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide
CID 61021329
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 83177483
3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol
CID 106704265

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine (CID 43634794) is 3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine is CC(C)OCCCNC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine?
The InChIKey is ATYBDCKBLCBALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12(2)19-8-4-7-18-16-10-14(11-16)13-5-3-6-15(17)9-13/h3,5-6,9,12,14,16,18H,4,7-8,10-11H2,1-2H3.
What are the key properties of 3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine?
3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine is sourced from PubChem (CID 43634794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).