N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine

C17H26BrN — CID 65014238

IUPACN-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine
SMILESCCNCC1(c2cccc(Br)c2)CC(C(C)(C)C)C1
InChIInChI=1S/C17H26BrN/c1-5-19-12-17(10-14(11-17)16(2,3)4)13-7-6-8-15(18)9-13/h6-9,14,19H,5,10-12H2,1-4H3
InChIKeyJWDVXOSLCYKTTM-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.75
Rot. Bonds4

About N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine

N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine (PubChem CID 65014238) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine
PubChem CID65014238
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine
SMILESCCNCC1(c2cccc(Br)c2)CC(C(C)(C)C)C1
InChIInChI=1S/C17H26BrN/c1-5-19-12-17(10-14(11-17)16(2,3)4)13-7-6-8-15(18)9-13/h6-9,14,19H,5,10-12H2,1-4H3
InChIKeyJWDVXOSLCYKTTM-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine
CID 65017119
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]propan-1-amine
CID 65014519
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65014923
N-[[3-tert-butyl-1-(3-chlorophenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 65014676
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014971
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine
CID 65014922
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65010847
N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
CID 62596821
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N-ethylethanamine
CID 115051899
N-[[1-(2-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014533
N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine
CID 65014479
1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine
CID 63512242

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine (CID 65014238) is N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine is CCNCC1(c2cccc(Br)c2)CC(C(C)(C)C)C1.
What is the InChIKey of N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine?
The InChIKey is JWDVXOSLCYKTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-5-19-12-17(10-14(11-17)16(2,3)4)13-7-6-8-15(18)9-13/h6-9,14,19H,5,10-12H2,1-4H3.
What are the key properties of N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine?
N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine has a molecular weight of 324.31 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methyl]ethanamine is sourced from PubChem (CID 65014238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).