N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine

C15H22BrNO — CID 112553206

IUPACN-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NC(C)Cc2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrNO/c1-3-18-15-9-14(10-15)17-11(2)8-12-4-6-13(16)7-5-12/h4-7,11,14-15,17H,3,8-10H2,1-2H3
InChIKeyODJMFHGKJJFWFM-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.54
Rot. Bonds6

About N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine

N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine (PubChem CID 112553206) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine
PubChem CID112553206
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NC(C)Cc2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrNO/c1-3-18-15-9-14(10-15)17-11(2)8-12-4-6-13(16)7-5-12/h4-7,11,14-15,17H,3,8-10H2,1-2H3
InChIKeyODJMFHGKJJFWFM-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[1-(furan-2-yl)propan-2-yl]cyclobutan-1-amine
CID 112553035
1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene
CID 103166521
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558
4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one
CID 106184042
3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine
CID 112554658
3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233
4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
CID 102609509
3-ethoxy-N-nonan-2-ylcyclobutan-1-amine
CID 114118781
N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 103779237
3-ethoxy-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine
CID 112553242
N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
CID 115892356
N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine
CID 114118763

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine (CID 112553206) is N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine is CCOC1CC(NC(C)Cc2ccc(Br)cc2)C1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine?
The InChIKey is ODJMFHGKJJFWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-18-15-9-14(10-15)17-11(2)8-12-4-6-13(16)7-5-12/h4-7,11,14-15,17H,3,8-10H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine?
N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 112553206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).