1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine

C17H26BrNO2 — CID 65459083

IUPAC1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine
SMILESCCOc1cc(CC(N)CC)cc(Br)c1OCC1CCC1
InChIInChI=1S/C17H26BrNO2/c1-3-14(19)8-13-9-15(18)17(16(10-13)20-4-2)21-11-12-6-5-7-12/h9-10,12,14H,3-8,11,19H2,1-2H3
InChIKeyITILPEHQRZNZHI-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.31
Rot. Bonds8

About 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine

1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine (PubChem CID 65459083) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine
PubChem CID65459083
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine
SMILESCCOc1cc(CC(N)CC)cc(Br)c1OCC1CCC1
InChIInChI=1S/C17H26BrNO2/c1-3-14(19)8-13-9-15(18)17(16(10-13)20-4-2)21-11-12-6-5-7-12/h9-10,12,14H,3-8,11,19H2,1-2H3
InChIKeyITILPEHQRZNZHI-UHFFFAOYSA-N
XLogP4.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-5-(bromomethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65459224
[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol
CID 65459217
1-[3-bromo-4-(cyclobutylmethoxy)-5-methoxyphenyl]propan-2-amine
CID 65459301
1-(3-bromo-5-ethoxy-4-pentoxyphenyl)butan-2-amine
CID 63421511
1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine
CID 65457314
1-(3,5-dibromo-4-cycloheptyloxyphenyl)butan-2-amine
CID 107739935
N-[[3-bromo-4-(cyclopropylmethoxy)-5-ethoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062834
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
1-[4-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459298
1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459310
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
[3-bromo-5-ethoxy-4-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 61312054

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine?
The IUPAC name of 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine (CID 65459083) is 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine.
What is the SMILES notation for 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine?
The canonical SMILES for 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine is CCOc1cc(CC(N)CC)cc(Br)c1OCC1CCC1.
What is the InChIKey of 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine?
The InChIKey is ITILPEHQRZNZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-3-14(19)8-13-9-15(18)17(16(10-13)20-4-2)21-11-12-6-5-7-12/h9-10,12,14H,3-8,11,19H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine?
1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine has a molecular weight of 356.30 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine is sourced from PubChem (CID 65459083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).