1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine

C18H26BrNO — CID 79562862

IUPAC1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCC2CC3CCC2C3)c(Br)c1
InChIInChI=1S/C18H26BrNO/c1-2-16(20)9-13-4-6-18(17(19)10-13)21-11-15-8-12-3-5-14(15)7-12/h4,6,10,12,14-16H,2-3,5,7-9,11,20H2,1H3
InChIKeyGZOQYXLKRTWRMD-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.54
Rot. Bonds6

About 1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine

1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine (PubChem CID 79562862) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine
PubChem CID79562862
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCC2CC3CCC2C3)c(Br)c1
InChIInChI=1S/C18H26BrNO/c1-2-16(20)9-13-4-6-18(17(19)10-13)21-11-15-8-12-3-5-14(15)7-12/h4,6,10,12,14-16H,2-3,5,7-9,11,20H2,1H3
InChIKeyGZOQYXLKRTWRMD-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine with MolForge

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Related Compounds

2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine
CID 79563052
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine
CID 107701303
1-[3-bromo-4-(oxolan-3-ylmethoxy)phenyl]butan-2-amine
CID 63052364
1-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]butan-2-amine
CID 63421771
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-4-methoxyphenyl)propan-2-ol
CID 115779476
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
methyl 2-[4-(2-aminobutyl)-2-bromophenoxy]acetate
CID 63052363
2-[2-(3-bromo-4-propoxyphenyl)-2-chloroethyl]bicyclo[2.2.1]heptane
CID 104661909
3-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]prop-2-enoic acid
CID 79563441
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromo-4-ethoxyphenyl)-N-methylethanamine
CID 104657552
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline
CID 79554738
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63527803

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine?
The IUPAC name of 1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine (CID 79562862) is 1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine is CCC(N)Cc1ccc(OCC2CC3CCC2C3)c(Br)c1.
What is the InChIKey of 1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine?
The InChIKey is GZOQYXLKRTWRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-2-16(20)9-13-4-6-18(17(19)10-13)21-11-15-8-12-3-5-14(15)7-12/h4,6,10,12,14-16H,2-3,5,7-9,11,20H2,1H3.
What are the key properties of 1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine?
1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine has a molecular weight of 352.32 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine is sourced from PubChem (CID 79562862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).