N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine

C18H26BrNO — CID 63522562

IUPACN-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2cccc(Br)c2)CC2CCC1C2
InChIInChI=1S/C18H26BrNO/c1-21-8-7-20-13-18(12-15-5-6-16(18)9-15)11-14-3-2-4-17(19)10-14/h2-4,10,15-16,20H,5-9,11-13H2,1H3
InChIKeyPIHCSYFPWJBNRK-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.03
Rot. Bonds7

About N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine

N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine (PubChem CID 63522562) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine
PubChem CID63522562
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC NameN-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2cccc(Br)c2)CC2CCC1C2
InChIInChI=1S/C18H26BrNO/c1-21-8-7-20-13-18(12-15-5-6-16(18)9-15)11-14-3-2-4-17(19)10-14/h2-4,10,15-16,20H,5-9,11-13H2,1H3
InChIKeyPIHCSYFPWJBNRK-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.03
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

N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521474
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
CID 63521463
2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine
CID 62726390
2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 115943396
N-[[2-[(3,5-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521111
N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521649
1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 63523064
N-[[2-[(4-bromothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521459
N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 63522034
N-[[2-[(2,6-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 114933522
N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 79697122
[2-[(3-bromo-4-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 55106776

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine (CID 63522562) is N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine is COCCNCC1(Cc2cccc(Br)c2)CC2CCC1C2.
What is the InChIKey of N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine?
The InChIKey is PIHCSYFPWJBNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-21-8-7-20-13-18(12-15-5-6-16(18)9-15)11-14-3-2-4-17(19)10-14/h2-4,10,15-16,20H,5-9,11-13H2,1H3.
What are the key properties of N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine?
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine has a molecular weight of 352.32 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63522562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).